SCHEMBL5454481

SCHEMBL5454481

CC1CN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC2CCC(Nc3ccc(F)cc3)CC2)CCC1N(C(=O)N(C)C)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MLNR O43193 7/20 0.40
CYP3A4 P08684 4/20 0.40
AVPR1A P37288 4/20 0.39
OXTR P30559 1/20 0.38
PYGL P06737 1/20 0.36
PYGM P11217 1/20 0.36
CYP51A1 Q16850 1/20 0.36
FPR1 P21462 2/20 0.36
FPR2 P25090 2/20 0.36
MC4R P32245 2/20 0.35
CCR1 P32246 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MC5R P33032 1/20 0.35
MC3R P41968 1/20 0.35
MC1R Q01726 1/20 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
SCHEMBL5451904 0.90 AVPR1A (0.42) MLNRCYP3A4AVPR1AOXTRPYGL
SCHEMBL5451899 0.90 AVPR1A (0.42) MLNRCYP3A4AVPR1AOXTRPYGL
SCHEMBL5452002 0.90 AVPR1A (0.42) MLNRCYP3A4AVPR1AOXTRPYGL
SCHEMBL5465375 0.88 MC4R (0.37) CYP3A4AVPR1AMC4RKDM4EALDH1A1
SCHEMBL5465371 0.88 MC4R (0.37) CYP3A4AVPR1AMC4RKDM4EALDH1A1
SCHEMBL5444782 0.87 AVPR1A (0.38) AVPR1AOXTRMC4RKDM4EALDH1A1
SCHEMBL5444788 0.87 AVPR1A (0.38) AVPR1AOXTRMC4RKDM4EALDH1A1
SCHEMBL5458230 0.87 AVPR1A (0.38) AVPR1AOXTRMC4RKDM4EALDH1A1
SCHEMBL5458224 0.87 AVPR1A (0.38) AVPR1AOXTRMC4RKDM4EALDH1A1
SCHEMBL5444777 0.87 AVPR1A (0.38) AVPR1AOXTRMC4RKDM4EALDH1A1

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 MLNR 209/4885CYP3A4 872/4885AVPR1A 12/4885

“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.