SCHEMBL5873534

SCHEMBL5873534

CSc1ccc(NC(=O)Nc2ccc3nc(N4CC5CCC4C5)ccc3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.56
EPHX2 P34913 1/20 0.40
NOX1 Q9Y5S8 1/20 0.40
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 2/20 0.38
TP53 P04637 2/20 0.38
GBA1 P04062 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
FPR2 P25090 2/20 0.37
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KCNJ6 P48051 1/20 0.36
KCNJ3 P48549 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
MEN1 O00255 2/20 0.35

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
SCHEMBL5873688 0.94 MCHR1 (0.55) MCHR1EPHX2NOX1MAPTSMN1; SMN2
SCHEMBL5873550 0.88 MCHR1 (0.61) MCHR1
SCHEMBL5873663 0.86 MCHR1 (0.63) MCHR1EPHX2MAPTSMN1; SMN2RAB9A
SCHEMBL5873662 0.83 MCHR1 (0.50) MCHR1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL5873667 0.83 MCHR1 (0.50) MCHR1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL5873615 0.82 MCHR1 (0.61) MCHR1EPHX2
SCHEMBL6560080 0.82 MCHR1 (0.54) MCHR1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL5873646 0.82 MCHR1 (0.59) MCHR1
SCHEMBL5873704 0.80 MCHR1 (0.62) MCHR1EPHX2MAPTSMN1; SMN2RAB9A
SCHEMBL5873575 0.80 MCHR1 (0.55) MCHR1NOX1MAPTSMN1; SMN2RAB9A

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 1/4885EPHX2 2921/4885NOX1 4725/4885

“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.