SCHEMBL12713314

SCHEMBL12713314

C[C@@H](CN(C)C)Oc1cc(Cl)ccc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2F)NC(=O)N2CCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CALCA P06881 9/20 0.42
▸ CYP51A1 Q16850 1/20 0.39
▸ ADAM17 P78536 2/20 0.39
▸ ADAMTS5 Q9UNA0 2/20 0.39
▸ MC4R P32245 4/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CCR1 P32246 2/20 0.37
▸ MC5R P33032 1/20 0.37
▸ MC3R P41968 1/20 0.37
▸ MC1R Q01726 1/20 0.37
▸ CACNA1B Q00975 1/20 0.36
▸ PROKR1 Q8TCW9 1/20 0.36

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
SCHEMBL12713340 0.92 CALCA (0.46) CALCAADAM17ADAMTS5CCR1
SCHEMBL12713319 0.91 CALCA (0.41) CALCACYP51A1ADAM17ADAMTS5MC4R
SCHEMBL12713351 0.88 CALCA (0.46) CALCAMC4RCYP3A4MC5RMC3R
SCHEMBL12713317 0.87 CALCA (0.42) CALCACYP51A1ADAM17ADAMTS5MC4R
SCHEMBL12713321 0.87 CALCA (0.45) CALCACYP51A1MC4RCYP3A4CCR1
SCHEMBL12713320 0.87 CALCA (0.45) CALCACYP51A1MC4RCYP3A4CCR1
SCHEMBL12713318 0.84 CALCA (0.41) CALCACYP51A1ADAM17ADAMTS5MC4R
SCHEMBL12713325 0.84 CALCA (0.43) CALCACYP51A1MC4RCCR1MC5R
SCHEMBL12713326 0.84 CALCA (0.43) CALCACYP51A1MC4RCCR1MC5R
SCHEMBL12713172 0.84 CALCA (0.47) CALCAADAM17ADAMTS5MC4RCYP3A4

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 4 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
EP-2004604-B1 SUBSTITUTED PHENYLPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS CH (CH) 2010-12-01 — — EP 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 3805/4885CYP51A1 3066/4885ADAM17 3871/4885

“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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