SCHEMBL904745

SCHEMBL904745

CCn1ncc2cc(CN)ccc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
CACNA1H O95180 9/20 0.42
SLC5A2 P31639 1/20 0.41
BRD4 O60885 1/20 0.41
BPTF Q12830 1/20 0.41
HASPIN Q8TF76 1/20 0.38
RECQL P46063 1/20 0.37
HTR2B P41595 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
QPCT Q16769 1/20 0.36
QPCTL Q9NXS2 1/20 0.36
KMO O15229 1/20 0.36
CTNNB1 P35222 1/20 0.36
TCF7 P36402 1/20 0.36

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
SCHEMBL13634568 0.86 CACNA1H (0.44) HTR2AHTR2CCACNA1HSLC5A2RECQL
SCHEMBL904726 0.83 SLC5A2 (0.46) HTR2AHTR2CCACNA1HSLC5A2RECQL
SCHEMBL27931203 0.81 CACNA1H (0.41) HTR2AHTR2CCACNA1HSLC5A2RECQL
SCHEMBL904802 0.80 HTR2A (0.39) HTR2AHTR2CCACNA1HRECQLHTR2B
SCHEMBL904775 0.80 MAOB (0.49) HTR2AHTR2CCACNA1HHTR2BQPCT
SCHEMBL29728749 0.79 CTNNB1 (0.54) HTR2ACACNA1HCTNNB1TCF7
SCHEMBL213305 0.79 CHEK1 (0.53) HTR2AHTR2CCACNA1HHASPINKMO
SCHEMBL904751 0.79 CTNNB1 (0.54) HTR2ACACNA1HCTNNB1TCF7
SCHEMBL17316596 0.78 KDM4E (0.54) CACNA1HTRPM8KMO
SCHEMBL7071662 0.77 KMO (0.45) HTR2AHTR2CHASPINKMO

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 HTR2A 455/4885HTR2C 633/4885CACNA1H 113/4885

“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.