SCHEMBL5484530

SCHEMBL5484530

CNC(=O)CCC(=O)N(CCc1c[nH]c2ccccc12)C1CCC(Cc2ccc(Cl)cc2)(N(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MC4R P32245 12/20 0.47
MC5R P33032 10/20 0.47
MC3R P41968 9/20 0.47
CDK4 P11802 2/20 0.46
CCND1 P24385 2/20 0.46
HPGD P15428 2/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 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
SCHEMBL5481666 0.92 MC4R (0.46) MC4RMC5RMC3RCDK4CCND1
SCHEMBL5474561 0.91 MC4R (0.51) MC4RMC5RMC3RCDK4CCND1
SCHEMBL251054 0.83 HPGD (0.52) CDK4CCND1HPGDMAPTHTT
SCHEMBL207809 0.78 HPGD (0.53) HPGDMAPTHTTRECQLBCHE
SCHEMBL205896 0.76 HPGD (0.52) MC4RMC5RCDK4CCND1HPGD
SCHEMBL205605 0.75 ACHE (0.50) MC4RMC3RCDK4CCND1HPGD
SCHEMBL208032 0.71 CDK4 (0.50) MC4RMC5RMC3RCDK4CCND1
SCHEMBL206020 0.70 ACHE (0.53) HPGDMAPTHTTRECQLBCHE
SCHEMBL6275395 0.68 ALDH1A1 (0.74) HPGDMAPTHTTRECQL
SCHEMBL207608 0.66 BCHE (0.56) CDK4CCND1HPGDMAPTHTT

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 2380/4885MC5R 2799/4885MC3R 4258/4885

“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.