SCHEMBL980912

SCHEMBL980912

CC(C)(F)CN1CCC(COc2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2F)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 15/20 0.46
CDK9 P50750 15/20 0.46
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
BRD4 O60885 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 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
SCHEMBL979908 0.87 CCNT1 (0.39) CCNT1CDK9GPR119LMNATHRB
SCHEMBL977360 0.84 GPR119 (0.50) CCNT1CDK9GPR119BRD4
Hydrochloric Acid SCHEMBL979854 0.84 CCNT1 (0.51) CCNT1CDK9
SCHEMBL980833 0.82 CCNT1 (0.39) CCNT1CDK9GPR119LMNATHRB
SCHEMBL10040264 0.80 CCNT1 (0.40) CCNT1CDK9GPR119
SCHEMBL1048473 0.79 CCNT1 (0.37) CCNT1CDK9GPR119LMNATHRB
SCHEMBL978339 0.78 CYP4F2 (0.49) GPR119
SCHEMBL21534893 0.77 HRH3 (0.40)
SCHEMBL18825362 0.76 EPHX2 (0.38) CCNT1CDK9GPR119BRD4
SCHEMBL978744 0.75 CCNT1 (0.63) CCNT1CDK9LMNATHRB

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 7 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
US-8207344-B2 GPR119 agonists ELI LILLY AND COMPANY (US) 2012-06-26 US disclosed
US-8207344-B2 GPR119 agonists ELI LILLY AND COMPANY (US) 2012-06-26 US 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
US-20110015199-A1 GPR119 Agonists ELI LILLY AND COMPANY (US) 2011-01-20 US 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 CCNT1 4475/4885CDK9 2128/4885KDM4E 3038/4885

“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.