SCHEMBL148696

SCHEMBL148696

CC(C)c1noc(N2CCC([C@H](C)CCOc3cnc(N4C[C@H](N)[C@@H](N5CC[C@@H](C)CC5=O)C4)nc3)CC2)n1.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 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 20/20 0.41
GPR183 P32249 1/20 0.41
KCNH2 Q12809 2/20 0.40
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 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
SCHEMBL1724793 0.93 GPR119 (0.41) GPR119GPR183KCNH2
SCHEMBL149741 0.93 GPR119 (0.41) GPR119GPR183KCNH2
SCHEMBL119960 0.92 GPR119 (0.39) GPR119GPR183KCNH2
SCHEMBL149358 0.92 GPR119 (0.39) GPR119GPR183KCNH2
SCHEMBL120023 0.92 GPR119 (0.39) GPR119GPR183KCNH2
SCHEMBL122251 0.92 GPR119 (0.39) GPR119GPR183KCNH2
SCHEMBL150990 0.92 GPR119 (0.40) GPR119GPR183KCNH2
Hydrochloric Acid SCHEMBL147901 0.92 GPR119 (0.38) GPR119GPR183KCNH2
Hydrochloric Acid SCHEMBL147902 0.92 GPR119 (0.38) GPR119GPR183KCNH2
SCHEMBL148635 0.89 DPP4 (0.41) GPR119GPR183KCNH2CYP3A4CYP2C19

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 1/4885GPR183 48/4885KCNH2 2010/4885

“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.