SCHEMBL5452964

SCHEMBL5452964

COc1ccc(NC2CCC(N[C@H](Cc3ccc(Cl)cc3)C(=O)N3CCC(N(C(=O)N(C)C)C4CCCCC4)CC3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
HTT P42858 1/20 0.44
CYP51A1 Q16850 1/20 0.43
AVPR1A P37288 1/20 0.42
KMT2A Q03164 2/20 0.41
CCR1 P32246 1/20 0.40
CACNA1B Q00975 1/20 0.39
MC4R P32245 3/20 0.39
POLB P06746 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
MEN1 O00255 1/20 0.38
CALCRL Q16602 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL5452961 1.00 ALDH1A1 (0.44) ALDH1A1HTTCYP51A1AVPR1AKMT2A
SCHEMBL5454454 1.00 ALDH1A1 (0.44) ALDH1A1HTTCYP51A1AVPR1AKMT2A
SCHEMBL5451904 0.91 AVPR1A (0.42) CYP51A1AVPR1AKMT2ACCR1MC4R
SCHEMBL5452002 0.91 AVPR1A (0.42) CYP51A1AVPR1AKMT2ACCR1MC4R
SCHEMBL5451899 0.91 AVPR1A (0.42) CYP51A1AVPR1AKMT2ACCR1MC4R
SCHEMBL5465491 0.87 MC4R (0.40) ALDH1A1HTTCYP51A1AVPR1AKMT2A
SCHEMBL5458884 0.86 ALDH1A1 (0.45) ALDH1A1KMT2AMC4RPOLBTRPV1
SCHEMBL5451845 0.86 ALDH1A1 (0.45) ALDH1A1KMT2AMC4RPOLBTRPV1
SCHEMBL5451847 0.86 ALDH1A1 (0.45) ALDH1A1KMT2AMC4RPOLBTRPV1
SCHEMBL5456597 0.86 AVPR1A (0.47) CYP51A1AVPR1AMC4RTRPV1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191364-A1 AMINOPIPERIDINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-08-16 US claimed
US-20070191364-A1 AMINOPIPERIDINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-08-16 US 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-20070191364-A1 AMINOPIPERIDINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF MC4R, MC5R, TAAR5 ALDH1A1 344/4885HTT 2683/4885CYP51A1 690/4885

“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.