SCHEMBL5458230

SCHEMBL5458230

CC(=O)N[C@H]1CC[C@@H](N[C@H](Cc2ccc(Cl)cc2)C(=O)N2CC[C@@H](N(C(=O)N(C)C)C3CCCCC3)[C@H](C)C2)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 6/20 0.38
MC4R P32245 5/20 0.37
KDM4E B2RXH2 2/20 0.37
MC5R P33032 1/20 0.37
MC3R P41968 1/20 0.37
MC1R Q01726 1/20 0.37
ALDH1A1 P00352 2/20 0.36
OXTR P30559 1/20 0.35
CYP2C9 P11712 1/20 0.35
HTT P42858 1/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
PDK2 Q15119 2/20 0.35

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
SCHEMBL5444782 1.00 AVPR1A (0.38) AVPR1AMC4RKDM4EMC5RMC3R
SCHEMBL5444777 1.00 AVPR1A (0.38) AVPR1AMC4RKDM4EMC5RMC3R
SCHEMBL5458224 1.00 AVPR1A (0.38) AVPR1AMC4RKDM4EMC5RMC3R
SCHEMBL5444788 1.00 AVPR1A (0.38) AVPR1AMC4RKDM4EMC5RMC3R
Hydrochloric Acid SCHEMBL5447067 0.99 AVPR1A (0.38) AVPR1AMC4RKDM4EMC5RMC3R
Hydrochloric Acid SCHEMBL5449412 0.99 AVPR1A (0.38) AVPR1AMC4RKDM4EMC5RMC3R
Hydrochloric Acid SCHEMBL5449420 0.99 AVPR1A (0.38) AVPR1AMC4RKDM4EMC5RMC3R
Hydrochloric Acid SCHEMBL5447057 0.99 AVPR1A (0.38) AVPR1AMC4RKDM4EMC5RMC3R
Hydrochloric Acid SCHEMBL5447061 0.99 AVPR1A (0.38) AVPR1AMC4RKDM4EMC5RMC3R
SCHEMBL5444058 0.92 MC4R (0.37) AVPR1AMC4RKDM4EMC5RMC3R

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 AVPR1A 12/4885MC4R 1/4885KDM4E 1027/4885

“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.