SCHEMBL11061990

SCHEMBL11061990

CCc1ccc2c(O)ccnc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.47
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
ACVR1 Q04771 1/20 0.42
MST1R Q04912 1/20 0.42
TYRO3 Q06418 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
ELANE P08246 2/20 0.40
TLR8 Q9NR97 2/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL10657341 0.86 TRPA1 (0.47) TRPA1NOS3NOS1NOS2ACVR1
SCHEMBL15483500 0.84 RECQL (0.44) ACVR1TLR8KDM4ETP53MAPT
SCHEMBL8603329 0.81 BMPR1B (0.38) NOS1NOS2ACVR1TLR8KDM4E
SCHEMBL8601117 0.81 KAT8 (0.48) KDM4EALDH1A1TP53
SCHEMBL15046641 0.80 CCR1 (0.45) NOS3NOS1NOS2GSK3AGSK3B
SCHEMBL3871113 0.78 IDH1 (0.51) ALOX15
SCHEMBL8810197 0.78 KDM4E (0.45) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL28816706 0.76 ALOX15 (0.36) TLR8GAAALOX15TDP1HTR1A
SCHEMBL15268013 0.76 GSK3A (0.48) NOS3NOS1NOS2GSK3AGSK3B
SCHEMBL2658022 0.76 HTR1A (0.54) TRPA1NOS3NOS1NOS2TLR8

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-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2013-06-20 US disclosed
CN-1835944-A Quinolyl amide derivatives as CCR-5 antagonists SCHERING AG (DE) 2006-09-20 CN disclosed
US-4447435-A HYPOTENSIVE AGENTS THE BOOTS COMPANY PLC (GB) 1984-05-08 US disclosed
US-4442109-A 3-Methylthiomethyl-and 3-methylsulfinylmethyl-4-quinolinones useful for treating hypertension THE BOOTS COMPANY LIMITED (GB) 1984-04-10 US disclosed

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-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 TRPA1 9/4885NOS3 3335/4885NOS1 3263/4885

“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.