SCHEMBL4601284

SCHEMBL4601284

O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1cc(-c2ccc(Cl)cc2)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 11/20 0.53
ITGB2 P05107 2/20 0.52
ICAM1 P05362 2/20 0.52
ITGAL P20701 2/20 0.52
LMNA P02545 3/20 0.49
HTT P42858 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 1/20 0.48
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
STAT3 P40763 1/20 0.47
TACR2 P21452 2/20 0.46

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
SCHEMBL4602489 0.90 TP53 (0.51) TACR3ITGB2ICAM1ITGALKDM4E
SCHEMBL4600729 0.89 TACR3 (0.49) TACR3ITGB2ICAM1ITGALMAPT
SCHEMBL5154442 0.89 TACR3 (0.57) TACR3ITGB2ICAM1ITGALLMNA
SCHEMBL4602408 0.89 TP53 (0.55) TACR3LMNAHTTKDM4EMAPT
SCHEMBL4601467 0.87 KDM4E (0.57) LMNAHTTKDM4EMAPTKMT2A
SCHEMBL4602563 0.87 KDM4E (0.57) LMNAHTTKDM4EMAPTKMT2A
SCHEMBL4602177 0.87 TRPV1 (0.49) TACR3ITGB2ICAM1ITGALLMNA
SCHEMBL14557563 0.85 KDM4E (0.56) TACR3ITGB2ICAM1ITGALLMNA
SCHEMBL4602486 0.85 MAPT (0.55) TACR3LMNAKDM4EMAPTMAPK1
SCHEMBL4601942 0.85 ITGB2 (0.50) TACR3ITGB2ICAM1ITGALLMNA

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 185/4885ITGB2 4080/4885ICAM1 4413/4885

“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.