SCHEMBL5873527

SCHEMBL5873527

Cc1cc2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2nc1N1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.52
TRPV1 Q8NER1 3/20 0.49
EPHX2 P34913 4/20 0.47
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
KCNJ6 P48051 1/20 0.45
KCNJ3 P48549 1/20 0.45

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
SCHEMBL5873538 0.98 MCHR1 (0.51) MCHR1TRPV1EPHX2MEN1MAPT
SCHEMBL5873587 0.85 MCHR1 (0.72) MCHR1
SCHEMBL5873517 0.83 MCHR1 (0.72) MCHR1
SCHEMBL5873511 0.79 MCHR1 (0.57) MCHR1EPHX2MEN1MAPTHTT
SCHEMBL4917218 0.71 EPHX2 (0.57) EPHX2MEN1MAPTHTTRAB9A
SCHEMBL5873657 0.70 MCHR1 (0.61) MCHR1
SCHEMBL16516626 0.69 CNR1 (0.79)
SCHEMBL3958875 0.69 NPC1 (0.76) TRPV1EPHX2MEN1MAPTRAB9A
SCHEMBL4555001 0.69 EPHX2 (0.67) EPHX2MEN1MAPTHTTRAB9A
SCHEMBL28729179 0.68 EPHX2 (1.00) EPHX2MEN1MAPTHTTRAB9A

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 1/4885TRPV1 1946/4885EPHX2 2921/4885

“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.