SCHEMBL904780

SCHEMBL904780

COC(=O)c1ccc2c(cnn2C2CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
KDM4E B2RXH2 4/20 0.44
GPR119 Q8TDV5 1/20 0.43
ALDH1A1 P00352 4/20 0.43
ATM Q13315 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 2/20 0.43
TSHR P16473 2/20 0.43
HPGD P15428 2/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RPS6KB1 P23443 1/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
HTR1A P08908 1/20 0.42
HTR1B P28222 1/20 0.42
HTR1F P30939 1/20 0.42

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
SCHEMBL31403635 0.95 RPS6KB1 (0.48) CYP11B1CYP11B2KDM4EGPR119ALDH1A1
SCHEMBL23467071 0.95 ALDH1A1 (0.50) CYP11B1CYP11B2KDM4EGPR119ALDH1A1
SCHEMBL30040346 0.89 HTR1A (0.50) CYP11B1CYP11B2KDM4EALDH1A1ATM
SCHEMBL18554576 0.84 HCAR3 (0.57) GPR119GAAHSD17B10HTR1AHTR1B
SCHEMBL7971124 0.84 ALDH1A1 (0.50) CYP11B1CYP11B2KDM4EALDH1A1ATM
SCHEMBL18720911 0.81 RXRA (0.58) CYP11B1CYP11B2KDM4EALDH1A1ATM
SCHEMBL24338759 0.81 HTR1A (0.46) ALDH1A1HPGDHSD17B10ALOX15HTR1A
SCHEMBL23125693 0.80 CYP11B1 (0.48) CYP11B1CYP11B2KDM4EALDH1A1ATM
SCHEMBL1144917 0.80 PDE1C (0.57) CYP11B1CYP11B2KDM4EALDH1A1HPGD
SCHEMBL30041675 0.80 PDE1C (0.57) CYP11B1CYP11B2KDM4EALDH1A1HPGD

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 CYP11B1 2066/4885CYP11B2 1875/4885KDM4E 3392/4885

“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.