SCHEMBL4550818

SCHEMBL4550818

NCc1cccc(OC(F)(F)F)c1F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MPL P40238 1/20 0.45
RPS6KA1 Q15418 1/20 0.40
GRIN2B Q13224 3/20 0.38
GRIN1 Q05586 1/20 0.38
KDM2B Q8NHM5 1/20 0.37
PHF8 Q9UPP1 1/20 0.37
SLC6A2 P23975 5/20 0.37
SLC6A4 P31645 5/20 0.37
SLC6A3 Q01959 4/20 0.37
PNMT P11086 1/20 0.36
KCNH2 Q12809 4/20 0.36
CYP2D6 P10635 3/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
ROCK2 O75116 1/20 0.35
DRD2 P14416 1/20 0.35

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
SCHEMBL30580173 1.00 MPL (0.45) MPLRPS6KA1GRIN2BGRIN1KDM2B
Hydrochloric Acid SCHEMBL2715685 0.98 MPL (0.44) MPLRPS6KA1GRIN2BGRIN1KDM2B
SCHEMBL40091 0.84 GRIN2B (0.47) GRIN2BGRIN1SLC6A2SLC6A4SLC6A3
SCHEMBL29412971 0.84 GRIN2B (0.47) GRIN2BGRIN1SLC6A2SLC6A4SLC6A3
SCHEMBL29875817 0.83 MPL (0.41) MPLGRIN2BGRIN1KDM2BPHF8
SCHEMBL28952591 0.83 MPL (0.41) MPLGRIN2BGRIN1KDM2BPHF8
SCHEMBL2713811 0.83 MPL (0.41) MPLGRIN2BGRIN1KDM2BPHF8
SCHEMBL2716488 0.83 MPL (0.41) MPLGRIN2BGRIN1KDM2BPHF8
SCHEMBL17053066 0.83 GABRA1 (0.42) MPLKDM2BPHF8SLC6A2SLC6A4
SCHEMBL20307141 0.80 MPL (0.39) MPLGRIN2BGRIN1KDM2BPHF8

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
US-20250002452-A1 BICYCLOPENTANE DERIVATIVES ANGELINI PHARMA S.P.A. (IT) 2025-01-02 US disclosed
WO-2023158584-A1 NEW BICYCLOPENTANE DERIVATIVES ICAGEN, LLC (US) 2023-08-24 WO disclosed
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 (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-20250002452-A1 BICYCLOPENTANE DERIVATIVES BICRA, C1R, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 MPL 3422/4885RPS6KA1 136/4885GRIN2B 2567/4885
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN2B, SCN1B, SCN2A MPL 3476/4885RPS6KA1 3460/4885GRIN2B 158/4885

“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.