SCHEMBL5454442

SCHEMBL5454442

CN(C)C(=O)N(C1CCCCC1)C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)N[C@H]2CC[C@@H](N)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
UGCG Q16739 1/20 0.42
MC4R P32245 14/20 0.41
MC3R P41968 6/20 0.39
MC1R Q01726 6/20 0.39
MC5R P33032 5/20 0.39
TRPV1 Q8NER1 1/20 0.39
CYP51A1 Q16850 1/20 0.39
AVPR1A P37288 1/20 0.39
DPP7 Q9UHL4 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
SCHEMBL5454448 1.00 CYP3A4 (0.42) CYP3A4UGCGMC4RMC3RMC1R
SCHEMBL5451683 0.92 MC4R (0.45) CYP3A4UGCGMC4RMC3RMC1R
SCHEMBL5465387 0.92 MC4R (0.45) CYP3A4UGCGMC4RMC3RMC1R
SCHEMBL5465381 0.92 MC4R (0.45) CYP3A4UGCGMC4RMC3RMC1R
SCHEMBL5453848 0.92 MC4R (0.45) CYP3A4UGCGMC4RMC3RMC1R
SCHEMBL5452839 0.92 MC4R (0.45) CYP3A4UGCGMC4RMC3RMC1R
SCHEMBL5458155 0.92 AVPR1A (0.47) MC4RMC3RMC1RMC5RTRPV1
SCHEMBL5456597 0.92 AVPR1A (0.47) MC4RMC3RMC1RMC5RTRPV1
SCHEMBL5456601 0.92 AVPR1A (0.47) MC4RMC3RMC1RMC5RTRPV1
SCHEMBL5452059 0.91 CYP3A4 (0.40) CYP3A4UGCGMC4RMC3RMC1R

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 CYP3A4 872/4885UGCG 1596/4885MC4R 1/4885

“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.