SCHEMBL17873395

SCHEMBL17873395

COC(=O)[C@@H]1CC[C@H](c2ccc(OCc3ccccc3F)cc2)N1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.64

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 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 14/20 0.64
SCN3A Q9NY46 8/20 0.61
SCN1A P35498 1/20 0.61
SCN4A P35499 1/20 0.61
SCN7A Q01118 1/20 0.61
SCN5A Q14524 1/20 0.61
SCN9A Q15858 1/20 0.61
SCN2A Q99250 1/20 0.61
SCN8A Q9UQD0 1/20 0.61
SCN10A Q9Y5Y9 1/20 0.61
CYP1A2 P05177 1/20 0.60
CYP2B6 P20813 1/20 0.60
MAOB P27338 1/20 0.60
CYP2C19 P33261 1/20 0.60
MMP1 P03956 3/20 0.44
ADAM17 P78536 2/20 0.44

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
SCHEMBL22546620 0.89 KCNH2 (0.78) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL862470 0.89 KCNH2 (0.78) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL24491210 0.89 KCNH2 (0.78) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL310294 0.89 KCNH2 (0.78) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL29685919 0.89 KCNH2 (0.78) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL1093298 0.84 KCNH2 (0.71) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL483308 0.84 KCNH2 (0.71) KCNH2SCN3ASCN1ASCN4ASCN7A
Vixotrigine SCHEMBL312069 0.81 KCNH2 (0.88) KCNH2SCN3ASCN1ASCN4ASCN7A
Vixotrigine SCHEMBL21930647 0.79 KCNH2 (0.92) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL862451 0.79 KCNH2 (0.79) KCNH2SCN3ASCN1ASCN4ASCN7A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3237379-B1 PROCESS FOR PREPARING ALPHA-CARBOXAMIDE PYRROLIDINE DERIVATIVES CONVERGENCE PHARMACEUTICALS (GB) 2022-04-06 EP disclosed
US-10421716-B2 Process for preparing alpha-carboxamide pyrrolidine derivatives Convergence Pharmaceuticals Limited (GB) 2019-09-24 US disclosed
US-20170369437-A1 Process for Preparing Alpha-Carboxamide Pyrrolidine Derivatives Convergence Pharmaceuticals Limited (GB) 2017-12-28 US disclosed
EP-3237379-A1 PROCESS FOR PREPARING ALPHA-CARBOXAMIDE PYRROLIDINE DERIVATIVES Convergence Pharmaceuticals Limited (GB) 2017-11-01 EP disclosed
WO-2016102967-A1 PROCESS FOR PREPARING ALPHA-CARBOXAMIDE PYRROLIDINE DERIVATIVES Convergence Pharmaceuticals Limited (GB) 2016-06-30 WO 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 (2 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-10421716-B2 Process for preparing alpha-carboxamide pyrrolidine derivatives CPS1, ALDH18A1, PCCA KCNH2 732/4885SCN3A 2354/4885SCN1A 1528/4885
US-20170369437-A1 Process for Preparing Alpha-Carboxamide Pyrrolidine Derivatives CPS1, ALDH18A1, PCCA KCNH2 732/4885SCN3A 2354/4885SCN1A 1528/4885

“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.