SCHEMBL904775

SCHEMBL904775

COCCn1ncc2cc(CN)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.49
MAOA P21397 1/20 0.48
HTR2A P28223 3/20 0.39
HTR2C P28335 3/20 0.39
HTR2B P41595 2/20 0.38
KMO O15229 1/20 0.38
QPCT Q16769 1/20 0.38
QPCTL Q9NXS2 1/20 0.38
GLS O94925 1/20 0.37
HCAR3 P49019 1/20 0.36
CTNNB1 P35222 1/20 0.35
TCF7 P36402 1/20 0.35
MAPK1 P28482 1/20 0.35
MPO P05164 2/20 0.35
FFAR4 Q5NUL3 1/20 0.34
CACNA1H O95180 2/20 0.34
PDE1C Q14123 1/20 0.34
CYP1A2 P05177 1/20 0.33
KCNH2 Q12809 1/20 0.33
MCHR1 Q99705 1/20 0.33

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
SCHEMBL14594177 0.87 MAOB (0.50) MAOBMAOAHTR2AHTR2CKMO
SCHEMBL904718 0.86 MAOB (0.51) MAOBMAOAHTR2AHTR2CHTR2B
SCHEMBL3655446 0.82 MAOB (0.51) MAOBMAOAHTR2AHTR2CHTR2B
SCHEMBL13607534 0.81 MAOB (0.52) MAOBMAOAHTR2AHTR2CKMO
SCHEMBL904745 0.80 HTR2A (0.43) HTR2AHTR2CHTR2BKMOQPCT
SCHEMBL14910174 0.79 MAOB (0.51) MAOBMAOAHTR2AHTR2CHTR2B
SCHEMBL15687474 0.78 MAPK1 (0.44) MAOBMAOAHTR2AHTR2CKMO
SCHEMBL13483881 0.77 MAOB (0.49) MAOBMAOAHTR2AHTR2CKMO
SCHEMBL29305629 0.77 MAOB (0.49) MAOBMAOAHTR2AHTR2CHTR2B
SCHEMBL29728749 0.77 CTNNB1 (0.54) HTR2ACTNNB1TCF7MPOCACNA1H

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829026-B2 Sulfamoyl benzoic acid heterobicyclic derivatives as TRPM8 antagonists RAQUALIA PHARMA INC. (JP) 2014-09-09 US disclosed
US-20130210858-A1 SULFAMOYL BENZOIC ACID HETEROBICYCLIC DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2013-08-15 US disclosed
WO-2012042915-A1 SULFAMOYL BENZOIC ACID HETEROBICYCLIC DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2012-04-05 WO 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-20130210858-A1 SULFAMOYL BENZOIC ACID HETEROBICYCLIC DERIVATIVES AS TRPM8 ANTAGONISTS TRPM8, TRPM6, TRPM5 MAOB 2423/4885MAOA 2186/4885HTR2A 455/4885

“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.