SCHEMBL4601735

SCHEMBL4601735

CCCOc1ccc(-c2cnc3ccccc3c2)cc1C(=O)NC(CO)Cc1c[nH]c2ccc(F)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 6/20 0.52
TGM2 P21980 3/20 0.42
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 2/20 0.40
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38
DYRK1A Q13627 2/20 0.38
DYRK3 O43781 1/20 0.37
PRKD3 O94806 1/20 0.37
PRKCG P05129 1/20 0.37
LCK P06239 1/20 0.37
CDK1 P06493 1/20 0.37
PIM1 P11309 1/20 0.37
PRKACA P17612 1/20 0.37
RPS6KB1 P23443 1/20 0.37
CDK2 P24941 1/20 0.37
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
FLT4 P35916 1/20 0.37

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
SCHEMBL4601084 0.93 CCKBR (0.45) CCKBRTGM2ROCK2ROCK1ITGB2
SCHEMBL14557663 0.93 CCKBR (0.48) CCKBRROCK2ROCK1DYRK1ADYRK3
SCHEMBL4603025 0.93 CCKBR (0.48) CCKBRROCK2ROCK1DYRK1ADYRK3
SCHEMBL14557962 0.88 ITGB2 (0.45) CCKBRROCK2ROCK1ITGB2ICAM1
SCHEMBL4601336 0.87 CCKBR (0.39) CCKBRROCK2ROCK1ITGB2ICAM1
SCHEMBL14557735 0.87 ICMT (0.44) CCKBRITGB2ICAM1ITGALHTR1A
SCHEMBL14557691 0.87 HTR2A (0.40) CCKBRROCK2ROCK1ITGB2ICAM1
SCHEMBL4600506 0.87 NR4A2 (0.44) CCKBRROCK2ROCK1ITGB2ICAM1
SCHEMBL4600979 0.87 TDO2 (0.42) CCKBRROCK2ROCK1ITGB2ICAM1
SCHEMBL4603009 0.87 ROCK2 (0.43) CCKBRROCK2ROCK1ITGB2ICAM1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 EP claimed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US claimed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 WO claimed
EP-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 EP disclosed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US disclosed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US disclosed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US disclosed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 WO disclosed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 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 (1 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-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R CCKBR 249/4885TGM2 2295/4885ROCK2 1645/4885

“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.