SCHEMBL980281

SCHEMBL980281

CS(=O)(=O)N1CC=C(c2ccc(OCC3CCNCC3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
CYP2D6 P10635 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
KDM1A O60341 2/20 0.44
CCNT1 O60563 5/20 0.44
CDK9 P50750 5/20 0.44
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 2/20 0.41
ITGB3 P05106 3/20 0.41
ITGA2B P08514 3/20 0.41
HTR3A P46098 2/20 0.41
KCNH2 Q12809 2/20 0.41
F10 P00742 1/20 0.40
TDO2 P48775 1/20 0.40
MAOB P27338 1/20 0.39
AKT1 P31749 1/20 0.39
SYK P43405 1/20 0.39

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
SCHEMBL1052390 0.89 ADORA3 (0.44) CCNT1CDK9ITGB3ITGA2BTDO2
SCHEMBL978348 0.86 CYP4F2 (0.54) TDP1CYP2D6HRH3CCNT1CDK9
SCHEMBL10040266 0.86 CCNT1 (0.41) CCNT1CDK9CYP4F2CYP4A11
Hydrochloric Acid SCHEMBL1080624 0.86 CYP4F2 (0.53) TDP1CYP2D6HRH3CCNT1CDK9
Hydrochloric Acid SCHEMBL979854 0.84 CCNT1 (0.51) CCNT1CDK9
SCHEMBL10040264 0.83 CCNT1 (0.40) CCNT1CDK9CYP4F2CYP4A11SYK
SCHEMBL980833 0.81 CCNT1 (0.39) CCNT1CDK9CYP4F2CYP4A11
SCHEMBL979908 0.81 CCNT1 (0.39) CCNT1CDK9CYP4F2CYP4A11
SCHEMBL1093489 0.81 GPR119 (0.53)
SCHEMBL978848 0.80 CCNT1 (0.42) CCNT1CDK9TDO2SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207344-B2 GPR119 agonists ELI LILLY AND COMPANY (US) 2012-06-26 US disclosed
EP-2454251-A1 GPR119 AGONISTS Eli Lilly and Company (US) 2012-05-23 EP disclosed
WO-2011008663-A1 GPR119 AGONISTS ELI LILLY AND COMPANY (US) 2011-01-20 WO disclosed
US-20110015199-A1 GPR119 Agonists ELI LILLY AND COMPANY (US) 2011-01-20 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-20110015199-A1 GPR119 Agonists GPR119, GLP1R, GCGR TDP1 4827/4885CYP2D6 2103/4885HRH3 759/4885

“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.