SCHEMBL23736211

SCHEMBL23736211

Cc1cnc(-c2cccc(C(F)(F)F)c2)[nH]1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 4/20 0.70
HRH1 P35367 1/20 0.63
HRH4 Q9H3N8 1/20 0.63
NPY5R Q15761 2/20 0.57
PIN1 Q13526 1/20 0.52
CNR2 P34972 5/20 0.49
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
THRB P10828 1/20 0.48
CYP2C9 P11712 1/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
STAT6 P42226 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL25174438 0.83 SCN2A (0.72) SCN2AHRH1HRH4NPY5RCNR2
SCHEMBL23736196 0.80 SCN2A (0.59) SCN2ANPY5RKDM4ENPC1RAB9A
SCHEMBL18410388 0.78 NPY5R (0.56) SCN2AHRH1NPY5RPIN1NPC1
SCHEMBL15332010 0.78 SCN2A (0.65) SCN2AHRH1HRH4NPY5RPIN1
SCHEMBL28540057 0.77 SCN2A (1.00) SCN2AHRH1HRH4NPY5RCNR2
SCHEMBL25170451 0.77 SCN2A (0.63) SCN2AHRH1HRH4NPY5RPIN1
SCHEMBL30371688 0.77 SCN2A (0.63) SCN2AHRH1HRH4NPY5RPIN1
SCHEMBL30918945 0.76 HRH1 (0.60) HRH1HRH4CNR2KDM4EMEN1
SCHEMBL12581385 0.76 HRH1 (0.60) HRH1HRH4CNR2KDM4EMEN1
SCHEMBL23758279 0.76 HRH1 (0.60) SCN2AHRH1NPY5RPIN1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11090289-B2 Compositions and methods for blocking sodium channels UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2021-08-17 US disclosed
US-11090289-B2 Compositions and methods for blocking sodium channels UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2021-08-17 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-11090289-B2 Compositions and methods for blocking sodium channels SCN3A, SCN1B, SCN2B SCN2A 7/4885HRH1 1622/4885HRH4 1288/4885

“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.