SCHEMBL1410172

SCHEMBL1410172

O=C([O-])COC1CCN(c2cc(C(F)(F)F)ccc2F)C1.O=C([O-])COC1CCN(c2cc(C(F)(F)F)ccc2F)C1.[Ca+2]

nearest known ligand 0.53

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
LIPG Q9Y5X9 17/20 0.53
LPL P06858 5/20 0.53
LIPC P11150 7/20 0.51
FFAR4 Q5NUL3 1/20 0.47
ACACB O00763 2/20 0.42

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
Potassium Ion SCHEMBL1410609 0.89 LIPG (0.56) LIPGLPLLIPC
SCHEMBL12210090 0.89 LIPG (0.58) LIPGLPLLIPCFFAR4
SCHEMBL1410173 0.88 LIPG (0.57) LIPGLPLLIPCFFAR4
SCHEMBL1410555 0.87 LIPG (0.56) LIPGLPLLIPC
SCHEMBL1410436 0.81 NOTUM (0.58) LIPGLPLLIPCACACB
SCHEMBL12210088 0.80 LIPG (0.61) LIPGLPLLIPCFFAR4
SCHEMBL1409550 0.79 NOTUM (0.45) LIPGLPLLIPC
Potassium Ion SCHEMBL1410342 0.78 NOTUM (0.58) LIPGLPLACACB
SCHEMBL1410600 0.78 LIPG (0.58) LIPGLPLLIPCFFAR4ACACB
Potassium Ion SCHEMBL1410626 0.76 NOTUM (0.58) LIPGLPLLIPC

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-20110251187-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-13 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-20110251187-A1 HETEROCYCLIC COMPOUND NES, BMI1, DOT1L LIPG 3938/4885LPL 3718/4885LIPC 1690/4885

“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.