SCHEMBL2891017

SCHEMBL2891017

CC(C)c1noc(N2CCC(CCCOc3ccc(C[C@H](N)C(=O)N4CCC(F)(F)C4)c(F)c3)CC2)n1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.47

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 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 16/20 0.47
KCNH2 Q12809 3/20 0.47
GPR183 P32249 1/20 0.41
HRH3 Q9Y5N1 2/20 0.35
DPP4 P27487 2/20 0.35
DPP7 Q9UHL4 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
SCHEMBL2891019 1.00 GPR119 (0.47) GPR119KCNH2GPR183HRH3DPP4
SCHEMBL2899807 0.93 GPR119 (0.53) GPR119KCNH2GPR183HRH3
SCHEMBL2899804 0.93 GPR119 (0.53) GPR119KCNH2GPR183HRH3
SCHEMBL2891038 0.91 GPR119 (0.45) GPR119KCNH2GPR183HRH3DPP4
SCHEMBL2891036 0.91 GPR119 (0.45) GPR119KCNH2GPR183HRH3DPP4
SCHEMBL2899728 0.90 GPR119 (0.48) GPR119KCNH2GPR183HRH3DPP4
SCHEMBL2899724 0.90 GPR119 (0.48) GPR119KCNH2GPR183HRH3DPP4
SCHEMBL2894963 0.87 GPR119 (0.47) GPR119KCNH2GPR183HRH3
SCHEMBL2894965 0.87 GPR119 (0.47) GPR119KCNH2GPR183HRH3
SCHEMBL2898305 0.84 GPR119 (0.51) GPR119KCNH2GPR183HRH3DPP4

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-20100286112-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-11-11 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-20100286112-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS GPR119, DPP4, DPP9 GPR119 1/4885KCNH2 2784/4885GPR183 67/4885

“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.