SCHEMBL149798

SCHEMBL149798

Cc1ccc(S(=O)(=O)O)cc1.N[C@H]1CN(c2ncc(OCCCC3CCN(c4ncc(Cl)cn4)CC3)cn2)CC[C@@H]1c1cc(F)ccc1F

nearest known ligand 0.43

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 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.43
MCHR1 Q99705 4/20 0.40
DPP4 P27487 4/20 0.38
DPP8 Q6V1X1 2/20 0.38
DPP9 Q86TI2 2/20 0.38
DPP7 Q9UHL4 1/20 0.38
KCNH2 Q12809 7/20 0.37
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL120059 0.90 GPR119 (0.47) GPR119MCHR1DPP4DPP8DPP9
SCHEMBL148874 0.86 GPR119 (0.43) GPR119MCHR1DPP4DPP8DPP9
SCHEMBL149935 0.86 MCHR1 (0.41) GPR119MCHR1DPP4DPP8DPP9
SCHEMBL149799 0.85 GPR119 (0.42) GPR119MCHR1KCNH2CHRM2CHRM1
SCHEMBL121546 0.81 GPR119 (0.46) GPR119MCHR1DPP4DPP8DPP9
SCHEMBL168155 0.80 GPR119 (0.40) GPR119MCHR1DPP4DPP8DPP9
SCHEMBL152137 0.78 GPR119 (0.34) GPR119MCHR1DPP4DPP8DPP9
SCHEMBL149750 0.78 GPR119 (0.44) GPR119MCHR1DPP4DPP8DPP9
SCHEMBL143663 0.76 GPR119 (0.40) GPR119MCHR1DPP4DPP8DPP9
SCHEMBL12064536 0.76 MCHR1 (0.49) GPR119MCHR1DPP4DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120059014-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-08 US claimed
US-20120059014-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-08 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-20120059014-A1 Compounds for the Treatment of Metabolic Disorders GPR119, FFAR2, GPBAR1 GPR119 1/4885MCHR1 517/4885DPP4 407/4885

“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.