SCHEMBL4601336

SCHEMBL4601336

CCCOc1ccc(-c2cnc(F)c(C)c2)cc1C(=O)NC(CO)Cc1c[nH]c2ccc(F)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.39
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
NOTUM Q6P988 2/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
HTR1A P08908 2/20 0.37
HTR2A P28223 2/20 0.37
SPR P35270 1/20 0.37
NR3C1 P04150 1/20 0.37
SLC6A4 P31645 1/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
HTR2C P28335 1/20 0.36
MEN1 O00255 1/20 0.36
PPARG P37231 1/20 0.36
KMT2A Q03164 1/20 0.36
NR2E3 Q9Y5X4 1/20 0.36
NCOR2 Q9Y618 1/20 0.36

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
SCHEMBL4602247 0.92 HDAC3 (0.41) ROCK2ROCK1ITGB2ICAM1ITGAL
SCHEMBL14557647 0.92 HDAC3 (0.41) ROCK2ROCK1ITGB2ICAM1ITGAL
SCHEMBL5156045 0.91 CCKBR (0.40) CCKBRNOTUMMTNR1AMTNR1BHTR1A
SCHEMBL14557719 0.90 ITGB2 (0.39) CCKBRROCK2ROCK1NOTUMMTNR1A
SCHEMBL14610637 0.90 ICMT (0.41) CCKBRNOTUMMTNR1AMTNR1BHTR1A
SCHEMBL14557731 0.89 NR3C1 (0.40) CCKBRNOTUMMTNR1AMTNR1BHTR1A
SCHEMBL14557691 0.89 HTR2A (0.40) CCKBRROCK2ROCK1NOTUMMTNR1A
SCHEMBL14557728 0.89 HTR2A (0.38) CCKBRNOTUMMTNR1AMTNR1BHTR1A
SCHEMBL4600979 0.89 TDO2 (0.42) CCKBRROCK2ROCK1NOTUMMTNR1A
SCHEMBL4603009 0.89 ROCK2 (0.43) CCKBRROCK2ROCK1HTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US 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

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 249/4885ROCK2 1645/4885ROCK1 1720/4885

“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.