SCHEMBL7709544

SCHEMBL7709544

CC(C)Cc1ccc(F)cc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.54
SLC6A2 P23975 7/20 0.50
SLC6A4 P31645 7/20 0.50
SLC6A3 Q01959 2/20 0.50
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
EPHX2 P34913 2/20 0.41
PPARG P37231 2/20 0.41
P2RX7 Q99572 6/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL17069238 0.85 SLC6A2 (0.51) IDO1SLC6A2SLC6A4SLC6A3PDE3B
SCHEMBL12844885 0.81 PDE3B (0.45) IDO1SLC6A2SLC6A4SLC6A3PDE3B
SCHEMBL17914474 0.81 PDE3B (0.45) IDO1SLC6A2SLC6A4SLC6A3PDE3B
SCHEMBL17069269 0.80 PDE3B (0.47) IDO1SLC6A2SLC6A4SLC6A3PDE3B
SCHEMBL17069266 0.80 POLQ (0.46) IDO1SLC6A2SLC6A4SLC6A3PDE3B
SCHEMBL488748 0.79 IDO1 (0.59) IDO1SLC6A2SLC6A4SLC6A3P2RX7
SCHEMBL29616489 0.79 IDO1 (0.59) IDO1SLC6A2SLC6A4SLC6A3P2RX7
SCHEMBL8417818 0.79 IDO1 (0.59) IDO1SLC6A2SLC6A4SLC6A3EPHX2
SCHEMBL1538597 0.78 IDO1 (0.63) IDO1SLC6A2SLC6A4SLC6A3P2RX7
SCHEMBL3904394 0.77 PDE3B (0.42) SLC6A2SLC6A4SLC6A3PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP disclosed
EP-4174069-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Wuhan LL Science and Technology Development Co., Ltd. (CN) 2023-05-03 EP disclosed
US-11332463-B2 Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors MERCK SHARP & DOHME CORP. (US) 2022-05-17 US disclosed
US-20220047592-A1 METHODS OF TREATING RESPIRATORY DISEASES USING C5a INHIBITORS CHEMOCENTRYX, INC. 2022-02-17 US disclosed
US-11242331-B2 Analogs of yohimbine and uses thereof UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-02-08 US disclosed
WO-2022001767-A1 HETEROCYCLIC COMPOUND AND USE THEREOF 武汉朗来科技发展有限公司 2022-01-06 WO disclosed
US-11149002-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2021-10-19 US disclosed
US-11059826-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-07-13 US disclosed
US-20210106568-A1 DIARYL SUBSTITUTED 6,5-FUSED RING COMPOUNDS AS C5aR INHIBITORS CHEMOCENTRYX, INC. 2021-04-15 US disclosed
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-04-01 US disclosed
US-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-07-06 US disclosed
US-9694002-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-07-04 US disclosed
US-9694002-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-07-04 US disclosed
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-03-30 US disclosed
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-03-30 US disclosed
US-9546164-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-01-17 US disclosed
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2015-09-10 US disclosed
WO-2011132051-A2 TRICYCLE COMPOUNDS AS PHOSPHODIESTERASE-10 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-10-27 WO disclosed
US-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea METASTATIX, INC. 2008-10-23 US disclosed
US-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea METASTATIX, INC. 2008-10-23 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 (11 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-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 IDO1 2995/4885SLC6A2 1205/4885SLC6A4 1914/4885
US-11149002-B2 Therapeutic compounds and methods of use thereof RDX, C1R, MTX1 IDO1 2995/4885SLC6A2 1205/4885SLC6A4 1914/4885
US-11332463-B2 Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors CHRNA7, CHRNA5, CHRNA6 IDO1 1335/4885SLC6A2 336/4885SLC6A4 1025/4885
US-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea MKI67, CCNI, CDKN1A IDO1 522/4885SLC6A2 2909/4885SLC6A4 3384/4885
US-11242331-B2 Analogs of yohimbine and uses thereof MAOA, MAOB, NPY5R IDO1 44/4885SLC6A2 119/4885SLC6A4 238/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP IDO1 952/4885SLC6A2 3631/4885SLC6A4 3856/4885
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 IDO1 2403/4885SLC6A2 1283/4885SLC6A4 1222/4885
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, RRM1 IDO1 2828/4885SLC6A2 1679/4885SLC6A4 1432/4885
US-20220047592-A1 METHODS OF TREATING RESPIRATORY DISEASES USING C5a INHIBITORS C3AR1, C5, C5AR1 IDO1 371/4885SLC6A2 4023/4885SLC6A4 4061/4885
US-20210106568-A1 DIARYL SUBSTITUTED 6,5-FUSED RING COMPOUNDS AS C5aR INHIBITORS C5AR1, C5AR2, C3AR1 IDO1 1142/4885SLC6A2 1891/4885SLC6A4 2100/4885
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF C1R, SRR, PNISR IDO1 2555/4885SLC6A2 927/4885SLC6A4 661/4885

“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.