SCHEMBL4603049

SCHEMBL4603049

CCCOc1ccc(-c2ccncc2)cc1C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.48
PRKACA P17612 3/20 0.48
GSK3B P49841 3/20 0.48
PRKX P51817 3/20 0.48
ROCK1 Q13464 3/20 0.48
CLK4 Q9HAZ1 3/20 0.48
LIMK1 P53667 2/20 0.48
RPS6KA5 O75582 2/20 0.48
RPS6KA4 O75676 2/20 0.48
MAPK1 P28482 2/20 0.48
PRKG1 Q13976 2/20 0.48
SNCA P37840 1/20 0.45
ECE1 P42892 1/20 0.44
PPARG P37231 1/20 0.44
AKT1 P31749 3/20 0.44
GSK3A P49840 2/20 0.44
SGK2 Q9HBY8 2/20 0.44
DYRK3 O43781 1/20 0.44
PRKD3 O94806 1/20 0.44
PRKCG P05129 1/20 0.44

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
SCHEMBL14159167 0.93 MAPT (0.47) PPARGITGB2ICAM1ITGAL
SCHEMBL14557644 0.91 MAPT (0.48) PPARGITGB2ICAM1ITGAL
SCHEMBL14557737 0.91 AKT1 (0.44) SNCAECE1AKT1
SCHEMBL14557645 0.90 TACR1 (0.46) ECE1
SCHEMBL14557917 0.90 HPGDS (0.45) PPARG
SCHEMBL14564912 0.90 HDAC3 (0.46) PPARGAKT1ITGB2ICAM1ITGAL
SCHEMBL14557638 0.90 CDK4 (0.50) ITGB2ICAM1ITGAL
SCHEMBL4600803 0.90 HDAC3 (0.46) PPARGAKT1ITGB2ICAM1ITGAL
SCHEMBL14557741 0.89 HPGDS (0.46) PPARG
SCHEMBL14557900 0.89 CCKBR (0.44) ROCK2PRKACAGSK3BPRKXROCK1

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 ROCK2 1645/4885PRKACA 4591/4885GSK3B 4336/4885

“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.