SCHEMBL17144656

SCHEMBL17144656

OCC1CC(O)c2cc(Br)ccc21

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.35
KDM1B Q8NB78 1/20 0.35
PNMT P11086 4/20 0.35
SLC6A2 P23975 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
PTGDR Q13258 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
CAMK2A Q9UQM7 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
SCHEMBL17144479 0.86 PNMT (0.38) KDM1AKDM1BPNMT
SCHEMBL28835734 0.79 CHRNB2 (0.40) KDM1AKDM1BHTR2AHTR2CSLC6A4
SCHEMBL30016697 0.74 KDM1A (0.44) KDM1AKDM1BSLC6A2HTR2AHTR2C
SCHEMBL17144876 0.71 KDM1A (0.33) KDM1AKDM1B
SCHEMBL6971410 0.68 ESR1 (0.45) PNMTHTR2AHTR2C
SCHEMBL29122834 0.67 OPRM1 (0.39)
SCHEMBL14095798 0.67 PNMT (0.37) PNMTHTR2AHTR2C
SCHEMBL17361476 0.67 FFAR1 (0.45)
SCHEMBL17144860 0.66 EDNRB (0.44) PNMT
SCHEMBL13116629 0.65 CHRNB4 (0.36) KDM1AKDM1BHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3126346-B1 SUBSTITUTED INDANONE COMPOUNDS AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY, DYSLIPIDEMIA AND RELATED DISORDERS SANOFI SA (FR) 2018-07-11 EP disclosed
US-9896434-B2 Substituted indanone compounds as GPR119 modulators for the treatment of diabetes, obesity, dyslipidemia and related disorders SANOFI (FR) 2018-02-20 US disclosed
EP-3126346-A1 SUBSTITUTED INDANONE COMPOUNDS AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY, DYSLIPIDEMIA AND RELATED DISORDERS SANOFI (FR) 2017-02-08 EP disclosed
US-20170029405-A1 SUBSTITUTED INDANONE COMPOUNDS AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY, DYSLIPIDEMIA AND RELATED DISORDERS SANOFI (FR) 2017-02-02 US disclosed
CN-106132949-A Substituted indone compound as the GPR119 regulator for the treatment of diabetes, obesity, dyslipidemia and associated conditions 赛诺菲 2016-11-16 CN disclosed
WO-2015150563-A1 SUBSTITUTED INDANONE COMPOUNDS AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY, DYSLIPIDEMIA AND RELATED DISORDERS SANOFI (FR) 2015-10-08 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-20170029405-A1 SUBSTITUTED INDANONE COMPOUNDS AS GPR119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY, DYSLIPIDEMIA AND RELATED DISORDERS GPR119, INSR, GPR65 KDM1A 1478/4885KDM1B 712/4885PNMT 3948/4885

“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.