SCHEMBL149149

SCHEMBL149149

CC(C)OC(=O)N1CCC([C@H](C)CCOc2cnc(N3C[C@H](c4ccc(F)cc4F)[C@@H](N)C3)nc2)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 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 18/20 0.40
CYP2C9 P11712 2/20 0.37
MC4R P32245 1/20 0.35
KCNH2 Q12809 1/20 0.35
MCHR1 Q99705 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
SCHEMBL147170 1.00 GPR119 (0.40) GPR119CYP2C9MC4RKCNH2MCHR1
SCHEMBL143663 0.95 GPR119 (0.40) GPR119CYP2C9KCNH2MCHR1
SCHEMBL120013 0.93 GPR119 (0.42) GPR119MC4RMCHR1
SCHEMBL121147 0.93 GPR119 (0.42) GPR119MC4RMCHR1
SCHEMBL149202 0.92 GPR119 (0.41) GPR119CYP2C9
SCHEMBL168155 0.91 GPR119 (0.40) GPR119CYP2C9MCHR1
SCHEMBL148547 0.89 GPR119 (0.38) GPR119CYP2C9MCHR1
SCHEMBL152941 0.89 GPR119 (0.38) GPR119CYP2C9MCHR1
SCHEMBL121276 0.87 MCHR1 (0.43) GPR119KCNH2MCHR1
SCHEMBL148868 0.85 GPR119 (0.43) GPR119KCNH2MCHR1

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 1/4885CYP2C9 1262/4885MC4R 74/4885

“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.