SCHEMBL5873604

SCHEMBL5873604

NC1CCN(c2ccc3cc(-c4noc(CCc5ccc(C(F)(F)F)cc5)n4)ccc3n2)C1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.58
CDK2 P24941 1/20 0.46
AKT1 P31749 1/20 0.46
HRH3 Q9Y5N1 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.40
SPHK2 Q9NRA0 1/20 0.39
FFAR1 O14842 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
SCHEMBL5873523 0.83 MCHR1 (0.58) MCHR1HRH3
SCHEMBL5873546 0.83 MCHR1 (0.56) MCHR1FFAR1
SCHEMBL5873542 0.83 MCHR1 (0.68) MCHR1CDK2AKT1
SCHEMBL5873482 0.73 MCHR1 (1.00) MCHR1
SCHEMBL5873750 0.73 MCHR1 (1.00) MCHR1
SCHEMBL22186395 0.72 MCHR1 (0.55) MCHR1HRH3
Hydrochloric Acid SCHEMBL28610078 0.71 MCHR1 (0.54) MCHR1HRH3
Hydrochloric Acid SCHEMBL28610076 0.71 MCHR1 (0.54) MCHR1HRH3
SCHEMBL5873658 0.69 MCHR1 (0.58) MCHR1HRH3
SCHEMBL21624808 0.67 PDE10A (0.50) MCHR1HRH3

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 4 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
EP-1450801-A2 2-AMINOQUINOLINE COMPOUNDS Merck & Co., Inc. (US) 2004-09-01 EP claimed
WO-2003045313-A2 2-AMINOQUINOLINE COMPOUNDS MERCK & CO. INC. (US) 2003-06-05 WO 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 1/4885CDK2 1197/4885AKT1 3147/4885

“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.