SCHEMBL4602177

SCHEMBL4602177

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.49
TACR3 P29371 10/20 0.47
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.46
PTBP1 P26599 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 1/20 0.46
CDK2 P24941 1/20 0.46
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
RUVBL1 Q9Y265 1/20 0.44
SCN9A Q15858 1/20 0.43
GOT1 P17174 1/20 0.43
ITGB2 P05107 1/20 0.42
ICAM1 P05362 1/20 0.42
ITGAL P20701 1/20 0.42

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
Tryptophanol SCHEMBL5154588 0.93 CDK2 (0.44) TRPV1TACR3LMNAMAPTPTBP1
SCHEMBL5154442 0.89 TACR3 (0.57) TACR3LMNAMAPTHTTSMN1; SMN2
SCHEMBL14557585 0.87 ITGB2 (0.42) TRPV1TACR3LMNAMAPTPTBP1
SCHEMBL4601284 0.87 TACR3 (0.53) TACR3LMNAMAPTHTTSMN1; SMN2
SCHEMBL14557563 0.86 KDM4E (0.56) TACR3LMNAMAPTSMN1; SMN2TP53
SCHEMBL4600729 0.84 TACR3 (0.49) TACR3MAPTITGB2ICAM1ITGAL
SCHEMBL4602563 0.84 KDM4E (0.57) LMNAMAPTHTTSMN1; SMN2TP53
SCHEMBL4601942 0.84 ITGB2 (0.50) TACR3LMNAMAPTSMN1; SMN2TP53
SCHEMBL4601467 0.84 KDM4E (0.57) LMNAMAPTHTTSMN1; SMN2TP53
SCHEMBL4602408 0.84 TP53 (0.55) TACR3LMNAMAPTHTTSMN1; SMN2

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 TRPV1 835/4885TACR3 185/4885LMNA 3198/4885

“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.