SCHEMBL12713182

SCHEMBL12713182

CC[C@@H](CN(C)C)Oc1cc(Cl)ccc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)N2CCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CALCA P06881 9/20 0.46
▸ ALDH1A1 P00352 1/20 0.43
▸ CCR1 P32246 4/20 0.42
▸ MC4R P32245 2/20 0.41
▸ CYP51A1 Q16850 2/20 0.41
▸ MC5R P33032 1/20 0.41
▸ MC3R P41968 1/20 0.41
▸ MC1R Q01726 1/20 0.41
▸ CYP3A4 P08684 1/20 0.39
▸ UGCG Q16739 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
SCHEMBL12713344 0.90 CALCA (0.45) CALCACCR1
SCHEMBL14436003 0.90 CCR1 (0.43) CALCAALDH1A1CCR1MC4RCYP51A1
SCHEMBL14435997 0.90 CCR1 (0.43) CALCAALDH1A1CCR1MC4RCYP51A1
SCHEMBL12713319 0.89 CALCA (0.41) CALCACCR1MC4RCYP51A1MC5R
SCHEMBL14435628 0.88 KMT2A (0.46) ALDH1A1CCR1MC4RCYP51A1CYP3A4
SCHEMBL12713327 0.88 CALCA (0.42) CALCACCR1MC4RMC5RMC3R
SCHEMBL12713354 0.87 CALCA (0.45) CALCACCR1MC4RMC5RMC3R
SCHEMBL12713177 0.85 CALCA (0.46) CALCAALDH1A1CCR1MC4RCYP51A1
SCHEMBL14436008 0.84 ADAM17 (0.43) ALDH1A1CCR1CYP51A1
SCHEMBL14436006 0.84 ADAM17 (0.43) ALDH1A1CCR1CYP51A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086836-A1 Substituted Phenylpiperidine Derivatives As Melanocortin-4 Receptor Modulators SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2011-04-14 — — US disclosed
US-20110086836-A1 Substituted Phenylpiperidine Derivatives As Melanocortin-4 Receptor Modulators SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2011-04-14 — — US disclosed
WO-2007115798-A1 SUBSTITUTED PHENYLPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2007-10-18 — — WO 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-20110086836-A1 Substituted Phenylpiperidine Derivatives As Melanocortin-4 Receptor Modulators MC4R, MC5R, MC3R CALCA 3805/4885ALDH1A1 2826/4885CCR1 710/4885

“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.

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