SCHEMBL1157136

SCHEMBL1157136

Cc1sc2ccccc2c1C1CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP1A1 P04798 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
HTR2A P28223 1/20 0.49
CYP2C19 P33261 1/20 0.49
GPR3 P46089 1/20 0.43
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FTO Q9C0B1 1/20 0.39
MAPT P10636 2/20 0.34
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 3/20 0.33
NPC1 O15118 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
SCHEMBL1097458 0.77 IDO1 (0.43) GPR3ALDH1A1HSD17B10MAPTKDM4E
SCHEMBL718642 0.73 NPY1R (0.44) GPR3ALDH1A1RAB9ANPC1KMT2A
SCHEMBL18270096 0.72 CYP1A2 (0.44) CYP1A2CYP2D6CYP1A1CYP3A4CYP2C9
SCHEMBL1099030 0.72 MCL1 (0.56) ALDH1A1HSD17B10MAPTKDM4EHPGD
SCHEMBL718497 0.71 GPR3 (0.50) CYP1A2CYP2D6CYP1A1CYP3A4CYP2C9
SCHEMBL723238 0.71 ALDH1A1 (0.56) CYP1A2CYP2C9CYP2C19ALDH1A1TSHR
SCHEMBL28511836 0.71 GPR3 (0.44) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL144440 0.70 GPR3 (0.55) CYP1A2CYP2D6CYP1A1CYP3A4CYP2C9
SCHEMBL15186693 0.70 CYP1A2 (0.49) CYP1A2CYP2D6CYP1A1CYP3A4CYP2C9
Ammonia Solution, Strong SCHEMBL28459123 0.69 GPR3 (0.52) CYP1A2CYP2D6CYP1A1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153682-B2 Sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA, NV (BE) 2012-04-10 US disclosed
US-20090264474-A1 SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-10-22 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-20090264474-A1 SULFONAMIDES AS TRPM8 MODULATORS TRPM8, TRPM5, TRPM2 CYP1A2 3258/4885CYP2D6 2599/4885CYP1A1 3046/4885

“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.