SCHEMBL765046

SCHEMBL765046

Cc1ccc(F)c(CC(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.42
GABRB2 P47870 2/20 0.42
TAAR1 Q96RJ0 1/20 0.39
DPP4 P27487 2/20 0.37
AMY1A P0DUB6 1/20 0.37
MAPK1 P28482 1/20 0.35
MAP2K4 P45985 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
MAPKAPK3 Q16644 1/20 0.35
MAPK6 Q16659 1/20 0.35
NFE2L2 Q16236 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
CDK2 P24941 1/20 0.33

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
SCHEMBL27273034 0.86 TAAR1 (0.38) TAAR1DPP4AMY1AMAPK1MAP2K4
SCHEMBL20208351 0.83 TAAR1 (0.39) TAAR1DPP4AMY1AMAPK1MAP2K4
SCHEMBL5927564 0.83 GABRA1 (0.38) GABRA1GABRB2TAAR1DPP4NFE2L2
SCHEMBL8250509 0.81 DPP4 (0.50) GABRA1GABRB2DPP4
SCHEMBL10206061 0.80 TAAR1 (0.41) TAAR1MAPK1MAP2K4MAPKAPK2MAPKAPK3
SCHEMBL8252341 0.79 GABRA1 (0.42) GABRA1GABRB2DPP4MAPT
SCHEMBL15178215 0.79 AMY1A (0.38) TAAR1DPP4AMY1AMAPK1MAP2K4
SCHEMBL5026910 0.78 TAAR1 (0.52) GABRA1GABRB2TAAR1ALDH1A1MAPT
SCHEMBL268462 0.78 TAAR1 (0.42) TAAR1AMY1AMAPK1MAP2K4MAPKAPK2
SCHEMBL24915820 0.78 KDM4E (0.41) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210292330-A1 PYRROLIDINE-FUSED HETEROCYCLES ERASCA, INC. 2021-09-23 US disclosed
EP-3394067-B1 4-AMINO-2-(1H-PYRAZOLO[3,4-B]PYRIDIN-3-YL)-6-OXO-6,7-DIHYDRO-5H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AND THE RESPECTIVE (1H-INDAZOL-3-YL) DERIVATIVES AS CGMP MODULATORS FOR TREATING CARDIOVASCULAR DISEASES MERCK SHARP & DOHME (US) 2020-04-01 EP disclosed
US-10355227-B2 Metal complex for phosphorescent OLED UNIVERSAL DISPLAY CORPORATION (US) 2019-07-16 US disclosed
US-10030027-B2 Soluble guanylate cyclase stimulators MERCK SHARP & DOHME CORP. (US) 2018-07-24 US disclosed
WO-2017112617-A1 4-AMINO-2-(1H-PYRAZOLO[3,4-B]PYRIDIN-3-YL)-6-OXO-6,7-DIHYDRO-5H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AND THE RESPECTIVE (1H-INDAZOL-3-YL) DERIVATIVES AS CGMP MODULATORS FOR TREATING CARDIOVASCULAR DISEASES MERCK SHARP & DOHME CORP. (US) 2017-06-29 WO disclosed
US-20170174693-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS MERCK SHARP & DOHME LLC 2017-06-22 US disclosed
US-9518000-B2 Bicyclo [2.2.1] acid GPR120 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-13 US disclosed
US-20160016880-A1 BICYCLO [2.2.1] ACID GPR120 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2016-01-21 US disclosed
US-9102599-B2 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) 2015-08-11 US disclosed
US-20130184279-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) 2013-07-18 US disclosed
US-20110065738-A1 POLYCYCLIC GUANINE DERIVATIVES AND USE THEREOF SCHERING CORPORATION 2011-03-17 US disclosed
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-10-21 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
WO-2010007116-A2 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-21 WO 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
WO-2007062308-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
WO-2007062342-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO 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-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 GABRA1 4256/4885GABRB2 3788/4885TAAR1 656/4885
US-20210292330-A1 PYRROLIDINE-FUSED HETEROCYCLES SDHB, CCNI, SDHA GABRA1 1169/4885GABRB2 415/4885TAAR1 3014/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 GABRA1 4260/4885GABRB2 4164/4885TAAR1 2307/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 GABRA1 4260/4885GABRB2 4164/4885TAAR1 2307/4885
US-20170174693-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS GUCY1A1, GUCY1A2, PDE2A GABRA1 1681/4885GABRB2 2455/4885TAAR1 1497/4885
US-10030027-B2 Soluble guanylate cyclase stimulators GUCY1A1, GUCY1A2, PDE2A GABRA1 1681/4885GABRB2 2455/4885TAAR1 1497/4885
US-20160016880-A1 BICYCLO [2.2.1] ACID GPR120 MODULATORS GPR180, GPR88, GPBAR1 GABRA1 57/4885GABRB2 66/4885TAAR1 259/4885
US-20110065738-A1 POLYCYCLIC GUANINE DERIVATIVES AND USE THEREOF GDA, HPRT1, GMPS GABRA1 2628/4885GABRB2 2769/4885TAAR1 4346/4885
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 GABRA1 4260/4885GABRB2 4164/4885TAAR1 2307/4885
US-10355227-B2 Metal complex for phosphorescent OLED OSBPL3, OSBP, OCIAD1 GABRA1 4209/4885GABRB2 3892/4885TAAR1 4001/4885
US-20130184279-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 GABRA1 3760/4885GABRB2 3390/4885TAAR1 362/4885

“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.