SCHEMBL12868145

SCHEMBL12868145

CC(C)c1cc(C(F)(F)F)ccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 6/20 0.46
CES2 O00748 2/20 0.46
HTR2A P28223 2/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
NOTUM Q6P988 1/20 0.38
SLC6A4 P31645 1/20 0.36
KCNH2 Q12809 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
PTPN5 P54829 1/20 0.35
KIF11 P52732 1/20 0.35

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
SCHEMBL21032600 0.88 PDE2A (0.44) PDE2ACES2HTR2AHTR2CHTR2B
SCHEMBL24910200 0.84 ABCB11 (0.39) PDE2ACES2NOTUMHSP90AA1HSP90AB1
SCHEMBL22717043 0.84 PDE2A (0.61) PDE2ACES2HTR2AHTR2CHTR2B
SCHEMBL19750893 0.84 PDE2A (0.47) PDE2ACES2HTR2AHTR2CHTR2B
SCHEMBL14121100 0.84 PDE2A (0.43) PDE2ACES2HTR2AHTR2CHTR2B
SCHEMBL23675536 0.84 PDE2A (0.61) PDE2ACES2HTR2AHTR2CHTR2B
SCHEMBL14121399 0.84 PDE2A (0.43) PDE2ACES2HTR2AHTR2CHTR2B
SCHEMBL22717245 0.84 P2RX7 (0.47) PDE2ACES2HTR2AHTR2CHTR2B
SCHEMBL2882405 0.84 PDE2A (0.43) PDE2ACES2HTR2AHTR2CHTR2B
SCHEMBL19696153 0.84 PDE2A (0.61) PDE2ACES2HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11845715-B2 2023-12-19 US disclosed
WO-2023083269-A1 AROMATIC HETEROCYCLIC COMPOUND AND APPLICATION THEREOF 中国科学院上海药物研究所 2023-05-19 WO disclosed
WO-2023070076-A1 COMPOUNDS FOR CANCERS DRIVEN BY BRAF MUTATION THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-04-27 WO disclosed
US-20230026428-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-01-26 US disclosed
EP-4122934-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-01-25 EP disclosed
US-20220407026-A1 ORGANIC ELECTROLUMINESCENT DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2022-12-22 US disclosed
US-11466026-B2 Organic electroluminescent materials and devices Beijing Summer Sprout Technology Co., Ltd. (CN) 2022-10-11 US disclosed
US-11376241-B2 Aryl hydrocarbon receptor (AhR) modulator compounds PHENEX PHARMACEUTICALS AG (DE) 2022-07-05 US disclosed
US-20220140252-A1 NOVEL ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Beijing Summer Sprout Technology Co., Ltd. (CN) 2022-05-05 US disclosed
US-11236082-B2 EZH2 inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-01 US disclosed
US-7790770-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 US disclosed
US-20100041717-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-18 US disclosed
US-7652023-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-26 US disclosed
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION, A DELAWARE CORPORATION 2009-08-06 US disclosed
WO-2008116156-A2 METHODS AND COMPOSITIONS FOR TREATING DISEASES AND CONDITIONS ASSOCIATED WITH MITOCHONDRIAL FUNCTION THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-09-25 WO disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 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 (13 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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 PDE2A 2430/4885CES2 58/4885HTR2A 2793/4885
US-20100041717-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES CETP, APOB, CES1 PDE2A 1618/4885CES2 125/4885HTR2A 1305/4885
US-11466026-B2 Organic electroluminescent materials and devices OCIAD1, OCIAD2, SLCO4C1 PDE2A 4676/4885CES2 890/4885HTR2A 2551/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 PDE2A 2430/4885CES2 58/4885HTR2A 2793/4885
US-11845715-B2 NLRP3, PYCARD, NOD1 PDE2A 3440/4885CES2 2956/4885HTR2A 4264/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 PDE2A 2430/4885CES2 58/4885HTR2A 2793/4885
US-20220407026-A1 ORGANIC ELECTROLUMINESCENT DEVICE L1CAM, EPCAM, EML4 PDE2A 4829/4885CES2 2294/4885HTR2A 2531/4885
US-20220140252-A1 NOVEL ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES LEF1, PIEZO1, L1CAM PDE2A 2795/4885CES2 2283/4885HTR2A 3611/4885
US-20230026428-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, SLCO4C1 PDE2A 4676/4885CES2 890/4885HTR2A 2551/4885
US-11376241-B2 Aryl hydrocarbon receptor (AhR) modulator compounds AHR, ARNT, NR1H2 PDE2A 3467/4885CES2 2258/4885HTR2A 215/4885
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 PDE2A 2935/4885CES2 4162/4885HTR2A 3849/4885
US-11236082-B2 EZH2 inhibitors and uses thereof EZH2, EZH1, BMI1 PDE2A 3798/4885CES2 3429/4885HTR2A 3855/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 PDE2A 2935/4885CES2 4162/4885HTR2A 3849/4885

“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.