SCHEMBL5873567

SCHEMBL5873567

O=C(Nc1ccc(C(F)(F)F)nc1)Nc1ccc2nc(N3CC4CCC3CC4)ccc2c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.61
USP30 Q70CQ3 2/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
EPHX2 P34913 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
SCN9A Q15858 3/20 0.39
TRPV1 Q8NER1 2/20 0.39
FPR1 P21462 1/20 0.39
FPR2 P25090 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
SCHEMBL5873634 0.87 MCHR1 (0.75) MCHR1
SCHEMBL5873626 0.85 MCHR1 (0.79) MCHR1
SCHEMBL5873765 0.83 MCHR1 (0.54) MCHR1KDM4EMAPT
SCHEMBL5873685 0.82 MCHR1 (0.59) MCHR1EPHX2
SCHEMBL5873646 0.82 MCHR1 (0.59) MCHR1
SCHEMBL5873589 0.81 MCHR1 (0.79) MCHR1
SCHEMBL5873575 0.79 MCHR1 (0.55) MCHR1MAPT
SCHEMBL5873541 0.79 MCHR1 (0.55) MCHR1MAPT
SCHEMBL5873704 0.79 MCHR1 (0.62) MCHR1EPHX2MAPT
SCHEMBL5873688 0.79 MCHR1 (0.55) MCHR1EPHX2MAPTFPR2

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 1/4885USP30 2837/4885CCNC 3710/4885

“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.