SCHEMBL4550321

SCHEMBL4550321

C[C@@H](Oc1ccc(CN)cn1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIPE Q05469 2/20 0.39
▸ ACACB O00763 4/20 0.36
▸ CSNK2A1 P68400 2/20 0.33
▸ DAO P14920 1/20 0.33
▸ GPR88 Q9GZN0 2/20 0.33
▸ ACACA Q13085 2/20 0.33
▸ LOXL2 Q9Y4K0 3/20 0.33
▸ LOX P28300 2/20 0.33
▸ MAOB P27338 1/20 0.33
▸ DRD2 P14416 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ MLNR O43193 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ PI4KA P42356 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ PI4KB Q9UBF8 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
Hydrochloric Acid SCHEMBL2716286 0.98 LIPE (0.38) LIPEACACBCSNK2A1DAOGPR88
Hydrochloric Acid SCHEMBL2715771 0.98 LIPE (0.38) LIPEACACBCSNK2A1DAOGPR88
SCHEMBL3939368 0.82 ALDH1A1 (0.45) ACACBCSNK2A1ACACAMLNRCYP2D6
SCHEMBL743471 0.79 KDM4E (0.44) LIPEGPR88CYP2D6PIK3CDPIK3CA
SCHEMBL11289 0.79 KDM4E (0.44) LIPEGPR88CYP2D6PIK3CDPIK3CA
SCHEMBL10363 0.79 KDM4E (0.44) LIPEGPR88CYP2D6PIK3CDPIK3CA
SCHEMBL4337117 0.78 DAO (0.49) DAOLOXL2LOXMAOBFFAR1
SCHEMBL29658850 0.78 DAO (0.49) DAOLOXL2LOXMAOBFFAR1
SCHEMBL25209760 0.77 LOXL2 (0.57) CSNK2A1LOXL2LOX
SCHEMBL30931638 0.77 LOXL2 (0.57) CSNK2A1LOXL2LOX

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-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 — — US disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 — — US disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 — — 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-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN2B, SCN1B, SCN2A LIPE 3841/4885ACACB 1601/4885CSNK2A1 2688/4885

“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.

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