SCHEMBL23387353

SCHEMBL23387353

O=C(O)NC1CN(c2cncc(C(F)(F)F)c2)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.48
▸ RIPK2 O43353 1/20 0.44
▸ CHRM4 P08173 4/20 0.42
▸ CHRNB4 P30926 1/20 0.42
▸ CHRNA3 P32297 1/20 0.42
▸ PIK3CD O00329 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ SCN2B O60939 2/20 0.39
▸ SCN1A P35498 2/20 0.39
▸ SCN1B Q07699 2/20 0.39
▸ SCN5A Q14524 2/20 0.39
▸ SCN9A Q15858 2/20 0.39
▸ HDAC4 P56524 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ GRM4 Q14833 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ LCAT P04180 2/20 0.37

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
SCHEMBL23387339 0.90 NOTUM (0.44) ACACBRIPK2PIK3CDPIK3CALCAT
SCHEMBL23387232 0.90 NOTUM (0.44) ACACBRIPK2PIK3CDPIK3CALCAT
SCHEMBL23387230 0.90 NOTUM (0.44) ACACBRIPK2PIK3CDPIK3CALCAT
SCHEMBL23387356 0.88 KMT2A (0.46) ACACBRIPK2CHRNB4CHRNA3PIK3CD
SCHEMBL23387357 0.88 KMT2A (0.46) ACACBRIPK2CHRNB4CHRNA3PIK3CD
SCHEMBL23387268 0.85 ACACB (0.45) ACACBRIPK2CHRNB4CHRNA3PIK3CD
SCHEMBL24244026 0.83 ACACB (0.48) ACACBRIPK2CHRM4CHRNB4CHRNA3
SCHEMBL21624687 0.82 SIGMAR1 (0.48) ACACBRIPK2CHRNB4CHRNA3GRIN2B
SCHEMBL23387391 0.79 ACACB (0.41) ACACBRIPK2CHRNB4CHRNA3PIK3CD
SCHEMBL23387390 0.79 ACACB (0.41) ACACBRIPK2CHRNB4CHRNA3PIK3CD

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-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS NIPPON CHEMIPHAR CO., LTD. (JP) 2022-07-21 — — US disclosed
EP-3950059-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS Nippon Chemiphar Co., Ltd. (JP) 2022-02-09 — — EP disclosed
EP-3825303-A1 T-TYPE CALCIUM CHANNEL BLOCKER Nippon Chemiphar Co., Ltd. (JP) 2021-05-26 — — EP 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-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS TRPV3, CACNA1G, TRPV2 ACACB 3157/4885RIPK2 3339/4885CHRM4 702/4885

“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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