SCHEMBL609339

SCHEMBL609339

CC(C)OC(=O)N1CCC(OCc2nc(-c3cnc(N4C[C@H](c5ccccc5F)[C@@H](N)C4)nc3)no2)CC1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.39

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 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 16/20 0.39
CYP2C9 P11712 3/20 0.35
TP53 P04637 2/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KCNH2 Q12809 1/20 0.33
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 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
SCHEMBL611271 0.94 GPR119 (0.39) GPR119CYP2C9LMNAALDH1A1TSHR
SCHEMBL612414 0.94 GPR119 (0.39) GPR119CYP2C9LMNAALDH1A1TSHR
SCHEMBL10058416 0.93 GPR119 (0.44) GPR119CYP2C9TP53LMNA
SCHEMBL610936 0.93 GPR119 (0.38) GPR119CYP2C9TP53LMNAALDH1A1
SCHEMBL609323 0.93 GPR119 (0.38) GPR119CYP2C9TP53LMNAALDH1A1
SCHEMBL611184 0.90 GPR119 (0.39) GPR119CYP2C9LMNAALDH1A1TSHR
SCHEMBL611218 0.90 GPR119 (0.39) GPR119CYP2C9LMNAALDH1A1TSHR
SCHEMBL611737 0.89 GPR119 (0.35) GPR119CYP2C9KCNH2DPP4DPP8
SCHEMBL609212 0.89 GPR119 (0.44) GPR119CYP2C9TP53LMNAALDH1A1
SCHEMBL609318 0.87 MCHR1 (0.39) GPR119CYP2C9LMNAALDH1A1TSHR

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 2237/4885TP53 4662/4885

“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.