SCHEMBL7465245

SCHEMBL7465245

CN1CCC(COc2cnc(Cl)c(Br)c2)C1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.43

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 14)

geneUniProtsupporting neighboursconfidence
ABL1 known ✓ P00519 1/20 0.36
ALDH1A1 P00352 5/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
CYP2D6 P10635 1/20 0.43
CD4 P01730 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
F2 P00734 1/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
CHRNA7 P36544 1/20 0.37
BCR P11274 1/20 0.36

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
SCHEMBL7465250 0.86 F2 (0.40) ALDH1A1HTTKMT2ALMNANPSR1
SCHEMBL7518431 0.85 ALDH1A1 (0.44) ALDH1A1HTTLMNACHRNA7
SCHEMBL7461389 0.84 KDM1A (0.48) ALDH1A1HTTKMT2A
SCHEMBL7456585 0.84 KDM1A (0.48) ALDH1A1HTTKMT2A
SCHEMBL7470528 0.84 KDM1A (0.48) ALDH1A1HTTKMT2A
SCHEMBL5175106 0.76 KMT2A (0.38) ALDH1A1KMT2ACYP2D6
SCHEMBL5174496 0.76 AKT1 (0.43) CYP2D6
SCHEMBL5172997 0.76 AKT1 (0.43) CYP2D6
SCHEMBL7460130 0.74 KDM1A (0.50)
SCHEMBL5174551 0.74 CYP1A2 (0.36) CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020151712-A1 3-pyrrolidinyloxy-3'-pyridyl ether compounds useful for controlling chemical synaptic transmission LIN NAN-HORNG (US) 2002-10-17 US disclosed
EP-1212319-A2 3-PYRROLIDINYLOXY-3'-PYRIDYL ETHER COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 2002-06-12 EP disclosed
WO-2001019817-A2 3-PYRROLIDINYLOXY-3'-PYRIDYL ETHER COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 2001-03-22 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 (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-20020151712-A1 3-pyrrolidinyloxy-3'-pyridyl ether compounds useful for controlling chemical synaptic transmission GAP43, SLC18A2, GABRE ABL1 2376/4885ALDH1A1 3872/4885HTT 1249/4885

“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.