SCHEMBL612753

SCHEMBL612753

CC(C)OC(=O)N1CCC(OCc2noc(-c3cnc(N4C[C@H](c5cc(F)ccc5F)[C@@H](N)C4)nc3)n2)CC1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.36

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 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 16/20 0.36
CYP2C9 P11712 3/20 0.36
KCNH2 Q12809 1/20 0.34
HCRTR2 O43614 1/20 0.33
MCHR1 Q99705 2/20 0.32

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
SCHEMBL609872 0.95 GPR119 (0.39) GPR119CYP2C9KCNH2HCRTR2
SCHEMBL611737 0.94 GPR119 (0.35) GPR119CYP2C9KCNH2HCRTR2
SCHEMBL10058402 0.93 MCHR1 (0.36) GPR119CYP2C9KCNH2HCRTR2MCHR1
SCHEMBL612414 0.89 GPR119 (0.39) GPR119CYP2C9KCNH2MCHR1
SCHEMBL10058403 0.88 GPR119 (0.38) GPR119CYP2C9KCNH2HCRTR2
SCHEMBL10058401 0.86 GPR119 (0.34) GPR119CYP2C9HCRTR2
SCHEMBL611184 0.86 GPR119 (0.39) GPR119CYP2C9KCNH2HCRTR2
SCHEMBL611218 0.86 GPR119 (0.39) GPR119CYP2C9KCNH2HCRTR2
SCHEMBL611271 0.85 GPR119 (0.39) GPR119CYP2C9KCNH2
SCHEMBL609291 0.84 GPR119 (0.45) GPR119CYP2C9KCNH2

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-20120040953-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-02-16 US claimed
US-20120040953-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-02-16 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-20120040953-A1 Compounds for the Treatment of Metabolic Disorders GPR119, GPR132, FFAR2 GPR119 1/4885CYP2C9 2237/4885KCNH2 2600/4885

“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.