SCHEMBL904802

SCHEMBL904802

CC(C)(O)Cn1ncc2cc(CN)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.39
HTR2C P28335 4/20 0.39
INSR P06213 1/20 0.37
ITK Q08881 1/20 0.37
SMO Q99835 2/20 0.36
HTR2B P41595 3/20 0.35
KMO O15229 1/20 0.35
KDM1A O60341 2/20 0.35
HTR1A P08908 2/20 0.33
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
QPCT Q16769 1/20 0.33
QPCTL Q9NXS2 1/20 0.33
PLK4 O00444 1/20 0.33
HTR1D P28221 1/20 0.33
HTR7 P34969 1/20 0.33
HTR4 Q13639 1/20 0.33
NR3C1 P04150 1/20 0.33
CACNA1H O95180 2/20 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
SCHEMBL904781 0.87 HTR2A (0.37) HTR2AHTR2CSMOKMOKDM1A
SCHEMBL17448065 0.81 CYP11B1 (0.49) HTR2AHTR2CKMONR3C1CYP11B1
SCHEMBL904745 0.80 HTR2A (0.43) HTR2AHTR2CHTR2BKMOQPCT
SCHEMBL21175117 0.79 KMO (0.43) HTR2AHTR2CKMOKDM1APLK4
SCHEMBL17453071 0.77 HTR2A (0.42) HTR2AHTR2CHTR2BKMOHTR1A
SCHEMBL24338338 0.75 HTR2A (0.40) HTR2AHTR2CHTR2BKMOKDM1A
SCHEMBL30174401 0.75 HTR2A (0.40) HTR2AHTR2CHTR2BKMOKDM1A
SCHEMBL27013087 0.75 RECQL (0.53) KMOADRA2ACYP11B1CYP11B2RECQL
SCHEMBL904775 0.74 MAOB (0.49) HTR2AHTR2CHTR2BKMOQPCT
SCHEMBL904751 0.73 CTNNB1 (0.54) HTR2AKDM1ACACNA1HCTNNB1TCF7

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 633/4885INSR 784/4885

“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.