SCHEMBL5873489

SCHEMBL5873489

O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc2nc(N3CC4CCC3CC4)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.52
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
KCNH2 Q12809 1/20 0.47
TRPV1 Q8NER1 1/20 0.45
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL5873494 1.00 MCHR1 (0.52) MCHR1CA12CA9KCNH2TRPV1
SCHEMBL5873621 0.88 MCHR1 (0.56) MCHR1TRPV1MAPT
SCHEMBL5873643 0.88 MAPT (0.55) MCHR1CA12CA9TRPV1MMP1
SCHEMBL5873680 0.88 MCHR1 (0.68) MCHR1CA12CA9TRPV1
SCHEMBL5873637 0.88 MAPT (0.55) MCHR1CA12CA9TRPV1MMP1
SCHEMBL5873617 0.88 MCHR1 (0.56) MCHR1TRPV1MAPT
SCHEMBL5873662 0.88 MCHR1 (0.50) MCHR1MAPT
SCHEMBL5873676 0.88 MCHR1 (0.68) MCHR1CA12CA9TRPV1
SCHEMBL5873667 0.88 MCHR1 (0.50) MCHR1MAPT
SCHEMBL5873544 0.86 MCHR1 (0.50) MCHR1MAPT

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 1/4885CA12 4711/4885CA9 4822/4885

“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.