SCHEMBL5456618

SCHEMBL5456618

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.38
TACR2 P21452 1/20 0.37
TACR1 P25103 1/20 0.37
MC4R P32245 5/20 0.36
MC5R P33032 1/20 0.36
MC3R P41968 1/20 0.36
MC1R Q01726 1/20 0.36
AVPR1A P37288 6/20 0.36
OXTR P30559 1/20 0.35
DPP4 P27487 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL5447023 0.91 PDK2 (0.41) PDK2TACR2TACR1MC4RMC5R
SCHEMBL5444777 0.91 AVPR1A (0.38) PDK2MC4RMC5RMC3RMC1R
SCHEMBL5458230 0.91 AVPR1A (0.38) PDK2MC4RMC5RMC3RMC1R
SCHEMBL5458224 0.91 AVPR1A (0.38) PDK2MC4RMC5RMC3RMC1R
SCHEMBL5444788 0.91 AVPR1A (0.38) PDK2MC4RMC5RMC3RMC1R
SCHEMBL5444782 0.91 AVPR1A (0.38) PDK2MC4RMC5RMC3RMC1R
Hydrochloric Acid SCHEMBL5449412 0.90 AVPR1A (0.38) PDK2MC4RMC5RMC3RMC1R
Hydrochloric Acid SCHEMBL5447057 0.90 AVPR1A (0.38) PDK2MC4RMC5RMC3RMC1R
Hydrochloric Acid SCHEMBL5449420 0.90 AVPR1A (0.38) PDK2MC4RMC5RMC3RMC1R
Hydrochloric Acid SCHEMBL5447067 0.90 AVPR1A (0.38) PDK2MC4RMC5RMC3RMC1R

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 PDK2 1399/4885TACR2 216/4885TACR1 147/4885

“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.