SCHEMBL5481666

SCHEMBL5481666

CNC(=O)CCC(=O)N(CCc1c[nH]c2ccccc12)C1CCC(Cc2cccc(Cl)c2)(N(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MC4R P32245 14/20 0.46
MC3R P41968 13/20 0.46
MC5R P33032 10/20 0.46
ACHE P22303 2/20 0.44
CDK4 P11802 2/20 0.40
CCND1 P24385 1/20 0.40
BCHE P06276 1/20 0.40
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 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
SCHEMBL5484530 0.92 MC4R (0.47) MC4RMC3RMC5RACHECDK4
SCHEMBL205605 0.84 ACHE (0.50) MC4RMC3RACHECDK4CCND1
SCHEMBL5474561 0.82 MC4R (0.51) MC4RMC3RMC5RCDK4CCND1
SCHEMBL206020 0.79 ACHE (0.53) ACHEBCHEHPGDHTTRECQL
SCHEMBL208032 0.76 CDK4 (0.50) MC4RMC3RMC5RACHECDK4
SCHEMBL251054 0.75 HPGD (0.52) ACHECDK4CCND1BCHEHPGD
SCHEMBL205896 0.71 HPGD (0.52) MC4RMC5RACHECDK4CCND1
SCHEMBL207608 0.71 BCHE (0.56) ACHECDK4CCND1BCHEHPGD
SCHEMBL207809 0.70 HPGD (0.53) ACHEBCHEHPGDHTTRECQL
SCHEMBL205653 0.67 SIGMAR1 (0.48) HPGDHTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070112007-A1 Cyclohexyl-1, 4-diamine compounds GRUENENTHAL GMBH (DE) 2007-05-17 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-20070112007-A1 Cyclohexyl-1, 4-diamine compounds PKD1, DDC, DPYD MC4R 2380/4885MC3R 4258/4885MC5R 2799/4885

“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.