SCHEMBL864051

SCHEMBL864051

CC(C)OC(=O)N1CCC(Oc2ccc(-c3ccc(C[C@H](N)C(=O)N4CCC(F)(F)C4)c(F)c3)cc2)CC1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.41

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 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
GPR119 Q8TDV5 15/20 0.39
CYP2C9 P11712 2/20 0.39
DPP4 P27487 2/20 0.39
KCNH2 Q12809 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
HRH1 P35367 1/20 0.36
CCR3 P51677 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
SCHEMBL864545 0.92 CHRM2 (0.40) CHRM2GPR119CYP2C9DPP4KCNH2
SCHEMBL864544 0.92 CHRM2 (0.40) CHRM2GPR119CYP2C9DPP4KCNH2
SCHEMBL864968 0.90 CHRM2 (0.42) CHRM2GPR119CYP2C9DPP4DPP7
SCHEMBL866256 0.82 GPR119 (0.41) GPR119CYP2C9DPP4KCNH2DPP7
SCHEMBL866255 0.82 GPR119 (0.41) GPR119CYP2C9DPP4KCNH2DPP7
SCHEMBL865795 0.81 GPR119 (0.40) CHRM2GPR119CYP2C9DPP4DPP7
SCHEMBL10101265 0.81 DPP4 (0.46) CHRM2GPR119DPP4KCNH2DPP7
SCHEMBL866190 0.78 ALDH1A1 (0.38) CHRM2GPR119DPP4
SCHEMBL866191 0.78 ALDH1A1 (0.38) CHRM2GPR119DPP4
SCHEMBL866025 0.75 DPP4 (0.54) DPP4DPP7

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 CHRM2 740/4885GPR119 1/4885CYP2C9 2237/4885

“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.