SCHEMBL23344679

SCHEMBL23344679

CC(C)(C)Cc1cccnc1OCC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.41
KCNH2 Q12809 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
CACNA1G O43497 5/20 0.39
CACNA1H O95180 5/20 0.39
CACNA1I Q9P0X4 4/20 0.39
HCRTR1 O43613 6/20 0.37
HCRTR2 O43614 6/20 0.37
SSTR4 P31391 4/20 0.37
GPBAR1 Q8TDU6 1/20 0.36
RIPK1 Q13546 2/20 0.36
SSTR1 P30872 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
SCHEMBL6468236 0.83 SSTR4 (0.46) SCN9AKCNH2SCN5ASCN2ASCN10A
SCHEMBL12776096 0.81 SLC13A5 (0.48) SCN2ASCN10ASSTR4RIPK1
SCHEMBL18014775 0.81 MAOB (0.46)
SCHEMBL3287500 0.80 SCN9A (0.42) SCN9AKCNH2SCN5ASCN2ASCN10A
SCHEMBL30931696 0.80 SCN9A (0.42) SCN9AKCNH2SCN5ASCN2ASCN10A
SCHEMBL12776098 0.80 SLC13A5 (0.47) RIPK1
SCHEMBL6371918 0.77 SSTR4 (0.45) SCN9ASSTR4SSTR1
SCHEMBL13424282 0.76 SSTR4 (0.45) SCN9AHCRTR1HCRTR2SSTR4GPBAR1
SCHEMBL18014793 0.76 IDO1 (0.47) KCNH2
SCHEMBL18726968 0.75 SCN9A (0.43) SCN9AKCNH2SCN5ASCN2ASCN10A

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-20210139456-A1 PYRIDAZINE COMPOUNDS FOR INHIBITING NAV1.8 LIEBER INSTITUTE, INC 2021-05-13 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-20210139456-A1 PYRIDAZINE COMPOUNDS FOR INHIBITING NAV1.8 SCN8A, SCN5A, SCN2A SCN9A 19/4885KCNH2 40/4885SCN5A 2/4885

“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.