SCHEMBL4601912

SCHEMBL4601912

N#CCn1cc(C[C@@H](N)CO)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 7/20 0.50
▸ KMT2A Q03164 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ RECQL P46063 1/20 0.40
▸ PRMT5 O14744 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ HTR3A P46098 1/20 0.38
▸ USP2 O75604 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ SMN1; SMN2 Q16637 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
SCHEMBL5151092 0.87 USP2 (0.51) SCN9AKMT2AALDH1A1MAPTRECQL
SCHEMBL5155397 0.86 SCN9A (0.47) SCN9AKMT2AMEN1CNR2USP2
SCHEMBL5151251 0.85 CCNT1 (0.49) SCN9AKMT2AMEN1CNR2USP2
SCHEMBL4602461 0.85 CCNT1 (0.49) SCN9AKMT2AMEN1CNR2USP2
SCHEMBL5149260 0.82 SCN9A (0.53) SCN9AKMT2AALDH1A1MAPTRECQL
SCHEMBL4613529 0.82 SCN9A (0.53) SCN9AKMT2AALDH1A1MAPTRECQL
SCHEMBL5156070 0.82 SCN9A (0.53) SCN9AKMT2AALDH1A1MAPTRECQL
SCHEMBL5154580 0.77 ICMT (0.55) SCN9AKMT2AALDH1A1CNR2
SCHEMBL5151526 0.77 SCN9A (0.49) SCN9AKMT2AALDH1A1MAPTRECQL
SCHEMBL5152025 0.76 SCN9A (0.51) SCN9AKMT2AALDH1A1MAPTRECQL

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
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
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
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 SCN9A 3913/4885KMT2A 916/4885ALDH1A1 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.

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