SCHEMBL5451880

SCHEMBL5451880

COc1ccc(N(C2CCCCC2)C2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC3CCNCC3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP51A1 Q16850 2/20 0.47
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
MC4R P32245 9/20 0.41
MC5R P33032 1/20 0.41
MC3R P41968 1/20 0.41
MC1R Q01726 1/20 0.41
AVPR1A P37288 1/20 0.41
CALCRL Q16602 1/20 0.41
CACNA1B Q00975 1/20 0.40
POLB P06746 1/20 0.39

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
Hydrochloric Acid SCHEMBL5455794 0.99 CYP51A1 (0.46) CYP51A1ALDH1A1HTTMC4RMC5R
SCHEMBL5195017 0.92 CYP51A1 (0.45) CYP51A1ALDH1A1HTTAVPR1ACALCRL
Hydrochloric Acid SCHEMBL5452099 0.89 ALDH1A1 (0.39) CYP51A1ALDH1A1HTTMC4RMC5R
SCHEMBL5199301 0.88 ALDH1A1 (0.47) CYP51A1ALDH1A1HTTCACNA1B
SCHEMBL5444005 0.83 MC4R (0.42) CYP51A1MC4RMC5RMC3RMC1R
Hydrochloric Acid SCHEMBL5458137 0.82 MC4R (0.42) CYP51A1MC4RMC5RMC3RMC1R
SCHEMBL5454784 0.81 MC4R (0.46) CYP51A1MC4RMC5RMC3RMC1R
SCHEMBL5461302 0.80 MC4R (0.43) CYP51A1MC4RMC5RMC3RMC1R
Hydrochloric Acid SCHEMBL5449626 0.80 MC4R (0.43) CYP51A1MC4RMC5RMC3RMC1R
SCHEMBL5452961 0.79 ALDH1A1 (0.44) CYP51A1ALDH1A1HTTMC4RAVPR1A

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 1 patent. 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 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 CYP51A1 690/4885ALDH1A1 344/4885HTT 2683/4885

“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.