SCHEMBL4600729

SCHEMBL4600729

CSc1ccc(-c2cc(C(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)c3ccccc3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 16/20 0.49
TACR2 P21452 2/20 0.46
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
ITGB2 P05107 1/20 0.45
ICAM1 P05362 1/20 0.45
ITGAL P20701 1/20 0.45

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
SCHEMBL4601284 0.89 TACR3 (0.53) TACR3TACR2MAPTHPGDITGB2
SCHEMBL5154442 0.88 TACR3 (0.57) TACR3ALDH1A1MAPTHPGDITGB2
SCHEMBL4602408 0.88 TP53 (0.55) TACR3TACR2ALDH1A1POLBMAPT
SCHEMBL4602563 0.86 KDM4E (0.57) ALDH1A1POLBMAPTHPGD
SCHEMBL4601467 0.86 KDM4E (0.57) ALDH1A1POLBMAPTHPGD
SCHEMBL4602489 0.86 TP53 (0.51) TACR3TACR2ALDH1A1POLBMAPT
SCHEMBL14557563 0.85 KDM4E (0.56) TACR3ALDH1A1MAPTHPGDITGB2
SCHEMBL4601942 0.85 ITGB2 (0.50) TACR3TACR2ALDH1A1MAPTHPGD
SCHEMBL4602177 0.84 TRPV1 (0.49) TACR3MAPTITGB2ICAM1ITGAL
SCHEMBL4601464 0.84 MAPT (0.54) TACR3ALDH1A1POLBMAPTHPGD

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 TACR3 185/4885TACR2 111/4885ALDH1A1 3830/4885

“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.