SCHEMBL5873732

SCHEMBL5873732

CCc1ccc(N(CCN)c2ccc3nc(N4CC5CCC4CC5)ccc3c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.43
PDE10A Q9Y233 1/20 0.32
HRH3 Q9Y5N1 4/20 0.32
FGFR1 P11362 3/20 0.31
FGFR2 P21802 3/20 0.31
FGFR4 P22455 3/20 0.31
FGFR3 P22607 3/20 0.31
KDR P35968 3/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL5873499 0.77 MCHR1 (0.55) MCHR1PDE10AHRH3
SCHEMBL6559780 0.77 MCHR1 (0.49) MCHR1HRH3
SCHEMBL6557977 0.74 MCHR1 (0.46) MCHR1
SCHEMBL5873493 0.72 MCHR1 (0.46) MCHR1PDE10AHRH3KDRKCNH2
SCHEMBL5873484 0.72 MCHR1 (0.79) MCHR1
SCHEMBL5873585 0.71 MCHR1 (0.42) MCHR1HRH3
SCHEMBL5873617 0.70 MCHR1 (0.56) MCHR1HRH3
SCHEMBL5873621 0.70 MCHR1 (0.56) MCHR1HRH3
SCHEMBL5873663 0.69 MCHR1 (0.63) MCHR1
SCHEMBL6559990 0.68 MCHR1 (0.43) 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 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 1/4885PDE10A 1245/4885HRH3 445/4885

“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.