SCHEMBL12713089

SCHEMBL12713089

O=C(N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCC(c2ccc(Cl)cc2OCCCN2CCCC2)CC1)N1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CALCA P06881 3/20 0.45
▸ MC4R P32245 4/20 0.44
▸ MC5R P33032 1/20 0.44
▸ MC3R P41968 1/20 0.44
▸ MC1R Q01726 1/20 0.44
▸ EPHX2 P34913 2/20 0.44
▸ UGCG Q16739 4/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ F10 P00742 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CYP51A1 Q16850 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL12713110 0.99 CALCA (0.46) CALCAMC4RMC5RMC3RMC1R
SCHEMBL12713076 0.96 CALCA (0.46) CALCAMC4RMC5RMC3RMC1R
SCHEMBL12713070 0.91 CALCA (0.47) CALCAMC4RMC5RMC3RMC1R
SCHEMBL12713085 0.91 CALCA (0.46) CALCAMC4RMC5RMC3RMC1R
SCHEMBL12713046 0.90 MC4R (0.47) CALCAMC4RMC5RMC3RMC1R
SCHEMBL12713302 0.89 CALCA (0.42) CALCAMC4RMC5RMC3RMC1R
SCHEMBL12713272 0.88 CALCA (0.42) CALCAMC4RMC5RMC3RMC1R
SCHEMBL12713293 0.88 CALCA (0.46) CALCANPC1RAB9A
SCHEMBL14431445 0.88 MC4R (0.51) CALCAMC4RMC3RUGCGCYP3A4
SCHEMBL12713143 0.88 MC4R (0.47) CALCAMC4RMC5RMC3RMC1R

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
EP-1842846-A1 Phenylpiperidine derivatives as melanocortin-4 receptor modulators Santhera Pharmaceuticals (Schweiz) AG (CH) 2007-10-10 — — EP 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 3805/4885MC4R 1/4885MC5R 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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