SCHEMBL15633015

SCHEMBL15633015

CC(C)CC#Cc1ccc(O)nc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 4/20 0.40
▸ CYP2B6 P20813 3/20 0.40
▸ CYP2C19 P33261 3/20 0.40
▸ CYP2E1 P05181 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CHRNB2 P17787 2/20 0.36
▸ CHRNA4 P43681 2/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HAO1 Q9UJM8 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ GRM5 P41594 2/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ ACACB O00763 3/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ SIRT5 Q9NXA8 1/20 0.31

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
SCHEMBL12197999 0.74 CYP2A6 (0.62) CYP2A6CYP2B6CYP2C19CYP2E1CYP1A2
SCHEMBL10398851 0.71 CYP1A2 (0.58) CYP2A6CYP2B6CYP2C19CYP2E1CYP1A2
SCHEMBL10398854 0.71 CYP1A2 (0.58) CYP2A6CYP2B6CYP2C19CYP2E1CYP1A2
SCHEMBL10398852 0.71 CYP1A2 (0.58) CYP2A6CYP2B6CYP2C19CYP2E1CYP1A2
SCHEMBL29312665 0.70 ACACB (0.39) HTR2AHAO1ACACB
SCHEMBL13723002 0.69 IDH1 (0.39) CYP2A6CYP2B6CYP2C19CYP2E1CYP1A2
SCHEMBL10398668 0.69 CYP1A2 (0.35) CYP2A6CYP2B6CYP2C19CYP2E1CYP1A2
SCHEMBL10398666 0.69 CYP1A2 (0.35) CYP2A6CYP2B6CYP2C19CYP2E1CYP1A2
SCHEMBL10398669 0.69 CYP1A2 (0.35) CYP2A6CYP2B6CYP2C19CYP2E1CYP1A2
SCHEMBL12197996 0.68 HTR2A (0.46) CYP2A6CYP2B6CYP2C19CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2906550-B1 PYRROLIDINONE DERIVATIVES AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY, DYSLIPIDEMIA AND RELATED DISORDERS SANOFI SA (FR) 2016-08-24 — — EP disclosed
EP-2906550-A1 PYRROLIDINONE DERIVATIVES AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY, DYSLIPIDEMIA AND RELATED DISORDERS SANOFI (FR) 2015-08-19 — — EP disclosed
US-8853412-B2 Pyrrolidinone derivatives as GPR119 modulators for the treatment of diabetes, obesity, dyslipidemia and related disorders SANOFI (FR) 2014-10-07 — — US disclosed
WO-2014056938-A1 PYRROLIDINONE DERIVATIVES AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY, DYSLIPIDEMIA AND RELATED DISORDERS SANOFI (FR) 2014-04-17 — — WO disclosed
US-20140099333-A1 PYRROLIDINONE DERIVATIVES AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY, DYSLIPIDEMIA AND RELATED DISORDERS SANOFI (FR) 2014-04-10 — — 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-20140099333-A1 PYRROLIDINONE DERIVATIVES AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY, DYSLIPIDEMIA AND RELATED DISORDERS GPR119, GPR65, GPR88 CYP2A6 3970/4885CYP2B6 4005/4885CYP2C19 1698/4885

“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.

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