SCHEMBL4600979

SCHEMBL4600979

CCCOc1ccc(-c2ccc(OC)nc2)cc1C(=O)NC(CO)Cc1c[nH]c2ccc(F)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.42
ROCK2 O75116 4/20 0.41
ROCK1 Q13464 4/20 0.41
HTR1A P08908 3/20 0.41
SLC6A4 P31645 2/20 0.40
CCKBR P32239 1/20 0.39
HTR2A P28223 2/20 0.38
SPR P35270 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
HTR2C P28335 1/20 0.37
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
HCRTR2 O43614 1/20 0.36
GABRA1 P14867 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
SCHEMBL4603009 0.92 ROCK2 (0.43) ROCK2ROCK1HTR1ASLC6A4CCKBR
SCHEMBL4602078 0.91 ROCK2 (0.44) ROCK2ROCK1ITGB2ICAM1ITGAL
SCHEMBL14557682 0.91 HTR1A (0.42) ROCK2ROCK1HTR1ASLC6A4HTR2A
SCHEMBL14557649 0.91 ROCK2 (0.44) ROCK2ROCK1ITGB2ICAM1ITGAL
SCHEMBL14557691 0.90 HTR2A (0.40) ROCK2ROCK1HTR1ASLC6A4CCKBR
SCHEMBL4600506 0.89 NR4A2 (0.44) ROCK2ROCK1CCKBRITGB2ICAM1
SCHEMBL14557690 0.89 ITGB2 (0.42) ROCK2ROCK1HTR1ASLC6A4CCKBR
SCHEMBL14610637 0.89 ICMT (0.41) HTR1ASLC6A4CCKBRHTR2ASPR
SCHEMBL4601046 0.89 ROCK2 (0.44) ROCK2ROCK1HTR1ASLC6A4HTR2A
SCHEMBL4601336 0.89 CCKBR (0.39) ROCK2ROCK1HTR1ASLC6A4CCKBR

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 7 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
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 TDO2 157/4885ROCK2 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.