SCHEMBL5873643

SCHEMBL5873643

COc1ccc(C=CC(=O)Nc2ccc3nc(N4CC5CCC4CC5)ccc3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
MCHR1 Q99705 6/20 0.52
HRH3 Q9Y5N1 1/20 0.51
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TP53 P04637 4/20 0.48
TRPV1 Q8NER1 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
MMP1 P03956 2/20 0.47
MMP2 P08253 2/20 0.47
MMP9 P14780 2/20 0.47
THRB P10828 1/20 0.47
LMNA P02545 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL5873637 1.00 MAPT (0.55) MAPTMCHR1HRH3CA12CA9
SCHEMBL5873489 0.88 MCHR1 (0.52) MAPTMCHR1CA12CA9TRPV1
SCHEMBL5873494 0.88 MCHR1 (0.52) MAPTMCHR1CA12CA9TRPV1
SCHEMBL5873667 0.88 MCHR1 (0.50) MAPTMCHR1ALDH1A1KDM4ETP53
SCHEMBL5873662 0.88 MCHR1 (0.50) MAPTMCHR1ALDH1A1KDM4ETP53
SCHEMBL5873621 0.88 MCHR1 (0.56) MAPTMCHR1HRH3TP53TRPV1
SCHEMBL5873617 0.88 MCHR1 (0.56) MAPTMCHR1HRH3TP53TRPV1
SCHEMBL5873575 0.86 MCHR1 (0.55) MAPTMCHR1HRH3TP53SMN1; SMN2
SCHEMBL5873676 0.86 MCHR1 (0.68) MCHR1CA12CA9TRPV1
SCHEMBL5873680 0.86 MCHR1 (0.68) MCHR1CA12CA9TRPV1

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 MAPT 545/4885MCHR1 1/4885HRH3 445/4885

“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.