SCHEMBL5873499

SCHEMBL5873499

CCc1ccc(NCCNc2ccc3nc(N4CC5CCC4CC5)ccc3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.55
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ROCK2 O75116 1/20 0.33
PDE10A Q9Y233 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33

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
SCHEMBL5873704 0.85 MCHR1 (0.62) MCHR1NPC1RAB9AHTTSMN1; SMN2
SCHEMBL6557977 0.83 MCHR1 (0.46) MCHR1NPC1RAB9A
SCHEMBL5873484 0.81 MCHR1 (0.79) MCHR1
SCHEMBL5873621 0.79 MCHR1 (0.56) MCHR1NPC1RAB9AHRH3
SCHEMBL5873617 0.79 MCHR1 (0.56) MCHR1NPC1RAB9AHRH3
SCHEMBL5873663 0.79 MCHR1 (0.63) MCHR1NPC1RAB9AHTTSMN1; SMN2
SCHEMBL5873732 0.77 MCHR1 (0.43) MCHR1PDE10AHRH3
SCHEMBL5873563 0.77 MCHR1 (0.65) MCHR1NPC1RAB9A
SCHEMBL5873765 0.73 MCHR1 (0.54) MCHR1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL5873493 0.71 MCHR1 (0.46) MCHR1KDM4ELMNAHTTSMN1; SMN2

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-7084156-B2 2-Aminoquinoline compounds MERCK & CO., INC. (US) 2006-08-01 US claimed
US-20050026915-A1 2-Aminoquinoline compounds MERCK SHARP & DOHME CORP. 2005-02-03 US claimed

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-20050026915-A1 2-Aminoquinoline compounds MCHR1, MCHR2, MC5R MCHR1 1/4885NPC1 1593/4885RAB9A 1226/4885

“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.