SCHEMBL12713306

SCHEMBL12713306

N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCC(c2ccc(Cl)cc2OCCN2CCCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 10/20 0.48
▸ HDAC1 Q13547 3/20 0.48
▸ HDAC3 O15379 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ AKT1 P31749 1/20 0.45
▸ AKT2 P31751 1/20 0.45
▸ AKT3 Q9Y243 1/20 0.45
▸ MC4R P32245 2/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KCNA5 P22460 1/20 0.41
▸ DPP4 P27487 1/20 0.40
▸ TSHR P16473 1/20 0.40

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
SCHEMBL13002996 0.95 HDAC8 (0.46) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL12713297 0.93 HDAC8 (0.51) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL12713290 0.91 ADAM17 (0.41) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL12713270 0.91 HTR7 (0.39) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL14435946 0.91 HDAC8 (0.44) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL14435974 0.89 AKT1 (0.46) AKT1AKT2AKT3DPP4
SCHEMBL13940673 0.89 EPHX2 (0.41) EPHX2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL14435581 0.87 UGCG (0.42) MC4REPHX2CYP1A2CYP2D6CYP2C9
SCHEMBL14435958 0.87 CYP1A2 (0.41) MC4REPHX2CYP1A2CYP2D6CYP2C9
SCHEMBL12713076 0.86 CALCA (0.46) MC4REPHX2

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 HDAC8 3182/4885HDAC1 2254/4885HDAC3 728/4885

“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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