SCHEMBL5873575

SCHEMBL5873575

COc1ccc(NC(=O)Nc2ccc3nc(N4CC5CCC4CC5)ccc3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.55
MAPT P10636 6/20 0.49
RAB9A P51151 8/20 0.47
NPC1 O15118 7/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
POLB P06746 4/20 0.47
TP53 P04637 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 2/20 0.47
GAA P10253 1/20 0.47
HRH3 Q9Y5N1 1/20 0.44
LMNA P02545 1/20 0.43
PTPN7 P35236 1/20 0.42
CNR1 P21554 1/20 0.42
ESR2 Q92731 1/20 0.41
NOX1 Q9Y5S8 1/20 0.41

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
SCHEMBL5873685 0.87 MCHR1 (0.59) MCHR1
SCHEMBL5873643 0.86 MAPT (0.55) MCHR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL5873637 0.86 MAPT (0.55) MCHR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL5873481 0.86 MCHR1 (0.55) MCHR1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL5873704 0.86 MCHR1 (0.62) MCHR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL5873688 0.86 MCHR1 (0.55) MCHR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL5873563 0.84 MCHR1 (0.65) MCHR1RAB9ANPC1MEN1KMT2A
SCHEMBL5873541 0.82 MCHR1 (0.55) MCHR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL5873628 0.82 MCHR1 (0.53) MCHR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL5873646 0.82 MCHR1 (0.59) 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 1/4885MAPT 545/4885RAB9A 1226/4885

“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.