SCHEMBL865795

SCHEMBL865795

CC(C)OC(=O)N1CCC(OCc2ccc(-c3ccc(C[C@H](N)C(=O)N4CCCC4)c(F)c3)cc2)CC1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.40

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.40
CYP2C9 P11712 2/20 0.37
DPP4 P27487 3/20 0.36
CHRM2 P08172 1/20 0.35
FAP Q12884 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MMP1 P03956 2/20 0.34
MMP13 P45452 2/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34

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
SCHEMBL865406 0.92 GPR119 (0.39) GPR119DPP4
SCHEMBL865407 0.92 GPR119 (0.39) GPR119DPP4
SCHEMBL864930 0.84 DPP4 (0.49) GPR119DPP4DPP8DPP9DPP7
SCHEMBL864929 0.84 DPP4 (0.49) GPR119DPP4DPP8DPP9DPP7
SCHEMBL864928 0.84 DPP4 (0.49) GPR119DPP4DPP8DPP9DPP7
SCHEMBL864968 0.83 CHRM2 (0.42) GPR119CYP2C9DPP4CHRM2DPP8
SCHEMBL864051 0.81 CHRM2 (0.41) GPR119CYP2C9DPP4CHRM2DPP7
SCHEMBL865276 0.78 GPR119 (0.41) GPR119DPP4DPP7MMP1MMP13
SCHEMBL864316 0.78 GPR119 (0.41) GPR119DPP4DPP7MMP1MMP13
SCHEMBL864317 0.78 GPR119 (0.41) GPR119DPP4DPP7MMP1MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077793-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-29 US claimed

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-20120077793-A1 Compounds for the Treatment of Metabolic Disorders GPR119, GPR132, FFAR2 GPR119 1/4885CYP2C9 2237/4885DPP4 217/4885

“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.