SCHEMBL12713272

SCHEMBL12713272

O=C(N[C@H](Cc1ccc(Cl)cc1F)C(=O)N1CCC(c2ccc(Cl)cc2OCCN2CCCC2)CC1)N1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CALCA P06881 8/20 0.42
▸ CYP51A1 Q16850 1/20 0.40
▸ HTR7 P34969 2/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ MC4R P32245 1/20 0.38
▸ MC5R P33032 1/20 0.38
▸ MC3R P41968 1/20 0.38
▸ MC1R Q01726 1/20 0.38
▸ HTR1A P08908 1/20 0.37
▸ PROKR1 Q8TCW9 1/20 0.37
▸ ADAM17 P78536 1/20 0.36
▸ ADAMTS5 Q9UNA0 1/20 0.36
▸ DRD2 P14416 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
SCHEMBL12713076 0.92 CALCA (0.46) CALCACYP51A1EPHX2MC4RMC5R
SCHEMBL12713293 0.91 CALCA (0.46) CALCA
SCHEMBL12737691 0.89 MC4R (0.44) CYP51A1MC4RMC5RMC3R
SCHEMBL12713097 0.89 CALCA (0.43) CALCACYP51A1EPHX2MC4RMC5R
SCHEMBL12713089 0.88 CALCA (0.45) CALCACYP51A1EPHX2MC4RMC5R
SCHEMBL12713110 0.88 CALCA (0.46) CALCAEPHX2MC4RMC5RMC3R
SCHEMBL12713302 0.87 CALCA (0.42) CALCACYP51A1HTR7EPHX2MC4R
SCHEMBL12713085 0.87 CALCA (0.46) CALCAEPHX2MC4RMC5RMC3R
SCHEMBL12713270 0.86 HTR7 (0.39) HTR7MC4RHTR1AADAM17ADAMTS5
SCHEMBL12713046 0.86 MC4R (0.47) CALCACYP51A1HTR7EPHX2MC4R

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-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

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 3066/4885HTR7 79/4885

“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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