SCHEMBL13784396

SCHEMBL13784396

COc1ccc(C(C)C)c(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.43
S1PR1 P21453 1/20 0.42
EPHX2 P34913 4/20 0.41
NOTUM Q6P988 1/20 0.41
PGR P06401 2/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
CYP2D6 P10635 1/20 0.39
P2RX3 P56373 1/20 0.38
P2RX2 Q9UBL9 1/20 0.38
AKR1C4 P17516 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CRHR1 P34998 1/20 0.38
LIMK1 P53667 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21138993 0.85 CYP2D6 (0.42) AREPHX2PGRCYP1A2CYP2A6
SCHEMBL24910284 0.84 PDE2A (0.47) ARS1PR1NOTUMPDE3BPDE3A
SCHEMBL25944311 0.84 AR (0.43) ARS1PR1NOTUMPDE3BPDE3A
SCHEMBL17988494 0.83 CA1 (0.47) CYP1A2CYP2A6CYP2D6P2RX3P2RX2
SCHEMBL21725520 0.83 CRHR1 (0.43) AREPHX2PGRAKR1C4AKR1C3
SCHEMBL21725512 0.82 NQO1 (0.43) ARNOTUMPDE3BPDE3AAKR1C3
SCHEMBL23015832 0.81 CRHR1 (0.43) AREPHX2PGRAKR1C4AKR1C3
SCHEMBL19879081 0.78 EPHX2 (0.40) AREPHX2PGRAKR1C3AKR1C2
SCHEMBL20909679 0.78 EPHX2 (0.38) EPHX2AKR1C3AKR1C2CRHR1LIMK1
SCHEMBL4628852 0.78 EPHX2 (0.46) AREPHX2PGRCYP1A2CYP2A6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242504-A1 DEUTERIUM-ENRICHED PIPERIDINONYL-OXOISOINDOLINYL ACETAMIDES AND METHODS OF TREATING MEDICAL DISORDERS USING SAME DEUTERX LLC (US) 2023-08-03 US disclosed
EP-4174069-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Wuhan LL Science and Technology Development Co., Ltd. (CN) 2023-05-03 EP disclosed
US-11566015-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2023-01-31 US disclosed
US-11535603-B1 Deuterium-enriched piperidinonyl-oxoisoindolinyl acetamides and methods of treating medical disorders using same DEUTERX, LLC (US) 2022-12-27 US disclosed
US-20220185809-A1 SUBSTITUTED 2-MORPHOLINOPYRIDINE DERIVATIVES AS ATR KINASE INHIBITORS REPARE THERAPEUTICS INC. (CA) 2022-06-16 US disclosed
US-20210238164-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2021-08-05 US disclosed
US-20210238125-A1 Diabetes and Metabolic Syndrome Treatment with a Novel Dual Modulator of Soluble Epoxide Hydrolase and Peroxisome Proliferator-Activated Receptors THE MEDICAL COLLEGE OF WISCONSIN, INC. (US) 2021-08-05 US disclosed
US-20210177856-A1 USE OF ATR INHIBITORS IN COMBINATION WITH PARP INHIBITORS REPARE THERAPEUTICS INC. (CA) 2021-06-17 US disclosed
US-10981894-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2021-04-20 US disclosed
US-10927069-B2 Diabetes and metabolic syndrome treatment with a novel dual modulator of soluble epoxide hydrolase and peroxisome proliferator-activated receptors THE MEDICAL COLLEGE OF WISCONSIN, INC. (US) 2021-02-23 US disclosed
US-20190300526-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS CHEMOCENTRYX, INC. 2019-10-03 US disclosed
US-20190192491-A1 DIARYL SUBSTITUTED 6,5-FUSED RING COMPOUNDS AS C5aR INHIBITORS CHEMOCENTRYX, INC. 2019-06-27 US disclosed
US-10322110-B2 Imidazole-based antimicrobial agents PROCOMCURE BIOTECH GMBH (AT) 2019-06-18 US disclosed
US-10195189-B2 2-phenethenyltetrahydro isoquinolines useful as anti-HIV compounds Prosetta Antiviral, Inc. (US) 2019-02-05 US disclosed
US-9895330-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-20 US disclosed
US-20170334887-A1 Imidazole-Based Antimicrobial Agents PROCOMCURE BIOTECH GMBH (AT) 2017-11-23 US disclosed
US-20170233340-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2017-08-17 US disclosed
US-20090181994-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2009-07-16 US disclosed
US-20090181994-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2009-07-16 US disclosed
US-7504402-B2 Triazole derivatives as inhibitors of 11-β-hydroxysteroid dehydrogenase-1 MERCK & CO., INC. (US) 2009-03-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (16 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190192491-A1 DIARYL SUBSTITUTED 6,5-FUSED RING COMPOUNDS AS C5aR INHIBITORS C5AR1, C5AR2, C3AR1 AR 1716/4885S1PR1 173/4885EPHX2 1051/4885
US-11566015-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R AR 413/4885S1PR1 1233/4885EPHX2 2939/4885
US-20210177856-A1 USE OF ATR INHIBITORS IN COMBINATION WITH PARP INHIBITORS ATR, MRE11, PARP2 AR 721/4885S1PR1 3365/4885EPHX2 3202/4885
US-20230242504-A1 DEUTERIUM-ENRICHED PIPERIDINONYL-OXOISOINDOLINYL ACETAMIDES AND METHODS OF TREATING MEDICAL DISORDERS USING SAME EGLN3, HPGDS, EGLN2 AR 441/4885S1PR1 2588/4885EPHX2 1251/4885
US-10927069-B2 Diabetes and metabolic syndrome treatment with a novel dual modulator of soluble epoxide hydrolase and peroxisome proliferator-activated receptors EPHX1, EPHX2, PPARG AR 2339/4885S1PR1 946/4885EPHX2 2/4885
US-20190300526-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS C5AR2, C5AR1, C3AR1 AR 1419/4885S1PR1 168/4885EPHX2 360/4885
US-20210238164-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R AR 413/4885S1PR1 1233/4885EPHX2 2939/4885
US-20170334887-A1 Imidazole-Based Antimicrobial Agents TLR5, NISCH, SLC11A2 AR 4816/4885S1PR1 2138/4885EPHX2 3832/4885
US-20220185809-A1 SUBSTITUTED 2-MORPHOLINOPYRIDINE DERIVATIVES AS ATR KINASE INHIBITORS ATR, CHEK2, CHEK1 AR 3146/4885S1PR1 3651/4885EPHX2 4691/4885
US-10195189-B2 2-phenethenyltetrahydro isoquinolines useful as anti-HIV compounds MAVS, EIF2AK2, POLRMT AR 4272/4885S1PR1 3707/4885EPHX2 3843/4885
US-10322110-B2 Imidazole-based antimicrobial agents ARG1, SLC11A2, IKZF3 AR 3246/4885S1PR1 913/4885EPHX2 3773/4885
US-20210238125-A1 Diabetes and Metabolic Syndrome Treatment with a Novel Dual Modulator of Soluble Epoxide Hydrolase and Peroxisome Proliferator-Activated Receptors EPHX1, EPHX2, PPARG AR 2429/4885S1PR1 1071/4885EPHX2 2/4885
US-11535603-B1 Deuterium-enriched piperidinonyl-oxoisoindolinyl acetamides and methods of treating medical disorders using same EGLN3, HPGDS, EGLN2 AR 441/4885S1PR1 2588/4885EPHX2 1251/4885
US-20170233340-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF CYP19A1, ESR1, ESR2 AR 8/4885S1PR1 1742/4885EPHX2 1215/4885
US-20090181994-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 HSD11B1, HSD17B1, HSD3B1 AR 1370/4885S1PR1 2642/4885EPHX2 2377/4885
US-10981894-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R AR 413/4885S1PR1 1233/4885EPHX2 2939/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.