SCHEMBL12713328

SCHEMBL12713328

C[C@H](Cc1cc(Cl)ccc1C1CCN(C(=O)[C@@H](Cc2ccc(F)cc2Cl)NC(=O)N2CCCC2)CC1)CN(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 9/20 0.46
▸ CALCA P06881 8/20 0.45
▸ MC5R P33032 1/20 0.41
▸ MC3R P41968 1/20 0.41
▸ MC1R Q01726 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CYP3A4 P08684 3/20 0.40
▸ UGCG Q16739 1/20 0.39
▸ PYGL P06737 1/20 0.39
▸ PYGM P11217 1/20 0.39
▸ CYP51A1 Q16850 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
SCHEMBL12713330 1.00 MC4R (0.46) MC4RCALCAMC5RMC3RMC1R
SCHEMBL12713320 0.92 CALCA (0.45) MC4RCALCAMC5RMC3RMC1R
SCHEMBL12713321 0.92 CALCA (0.45) MC4RCALCAMC5RMC3RMC1R
SCHEMBL12713335 0.91 CALCA (0.43) MC4RCALCAMC5RMC3RMC1R
SCHEMBL12713332 0.91 CALCA (0.43) MC4RCALCAMC5RMC3RMC1R
SCHEMBL13002977 0.91 MC4R (0.46) MC4RCALCAMC5RMC3RMC1R
SCHEMBL12713346 0.91 CALCA (0.49) MC4RCALCACYP3A4
SCHEMBL12713347 0.91 CALCA (0.49) MC4RCALCACYP3A4
SCHEMBL12713236 0.88 CALCA (0.44) MC4RCALCAMC5RMC3RMC1R
SCHEMBL12713202 0.85 CALCA (0.48) MC4RCALCAMC5RMC3RMC1R

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 MC4R 1/4885CALCA 3805/4885MC5R 2/4885

“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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