SCHEMBL5873617

SCHEMBL5873617

CCc1ccc(/C=C/C(=O)Nc2ccc3nc(N4CC5CCC4CC5)ccc3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.56
TRPV1 Q8NER1 1/20 0.48
MAPT P10636 3/20 0.44
TP53 P04637 1/20 0.44
HRH3 Q9Y5N1 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL5873621 1.00 MCHR1 (0.56) MCHR1TRPV1MAPTTP53HRH3
SCHEMBL5873544 0.89 MCHR1 (0.50) MCHR1MAPTTP53HRH3
SCHEMBL5873551 0.89 MCHR1 (0.50) MCHR1MAPTTP53HRH3
SCHEMBL5873489 0.88 MCHR1 (0.52) MCHR1TRPV1MAPT
SCHEMBL5873494 0.88 MCHR1 (0.52) MCHR1TRPV1MAPT
SCHEMBL5873637 0.88 MAPT (0.55) MCHR1TRPV1MAPTTP53HRH3
SCHEMBL5873667 0.88 MCHR1 (0.50) MCHR1MAPTTP53NPC1RAB9A
SCHEMBL5873643 0.88 MAPT (0.55) MCHR1TRPV1MAPTTP53HRH3
SCHEMBL5873662 0.88 MCHR1 (0.50) MCHR1MAPTTP53NPC1RAB9A
SCHEMBL5873704 0.86 MCHR1 (0.62) MCHR1MAPTNPC1RAB9A

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 1/4885TRPV1 1946/4885MAPT 545/4885

“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.