SCHEMBL5873550

SCHEMBL5873550

O=C(Nc1ccc(SC(F)(F)F)cc1)Nc1ccc2nc(N3CC4CCC3C4)ccc2c1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.61
ABL1 P00519 3/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL5873646 0.94 MCHR1 (0.59) MCHR1ABL1KCNH2
SCHEMBL5873534 0.88 MCHR1 (0.56) MCHR1
SCHEMBL5873615 0.85 MCHR1 (0.61) MCHR1
SCHEMBL5873663 0.82 MCHR1 (0.63) MCHR1
SCHEMBL5873688 0.82 MCHR1 (0.55) MCHR1
SCHEMBL5873634 0.82 MCHR1 (0.75) MCHR1
SCHEMBL5873685 0.80 MCHR1 (0.59) MCHR1
SCHEMBL5873516 0.79 MCHR1 (0.55) MCHR1
SCHEMBL6560080 0.78 MCHR1 (0.54) MCHR1
SCHEMBL5873567 0.77 MCHR1 (0.61) MCHR1

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 1/4885ABL1 1986/4885KCNH2 3741/4885

“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.