SCHEMBL23387232

SCHEMBL23387232

O=C(O)NC1CCN(c2cncc(C(F)(F)F)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.44
▸ RIPK2 O43353 1/20 0.43
▸ PIK3CD O00329 1/20 0.43
▸ PIK3CA P42336 1/20 0.43
▸ ACACB O00763 1/20 0.43
▸ CCNC P24863 1/20 0.42
▸ CDK8 P49336 1/20 0.42
▸ CA12 O43570 6/20 0.41
▸ CA1 P00915 6/20 0.41
▸ CA2 P00918 6/20 0.41
▸ CA4 P22748 6/20 0.41
▸ CA7 P43166 6/20 0.41
▸ CA9 Q16790 6/20 0.41
▸ LCAT P04180 2/20 0.41
▸ TRPV1 Q8NER1 4/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TRPM8 Q7Z2W7 1/20 0.41
▸ SMPD3 Q9NY59 1/20 0.41

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 1.00 NOTUM (0.44) NOTUMRIPK2PIK3CDPIK3CAACACB
SCHEMBL23387230 1.00 NOTUM (0.44) NOTUMRIPK2PIK3CDPIK3CAACACB
SCHEMBL23387357 0.93 KMT2A (0.46) NOTUMRIPK2PIK3CDPIK3CAACACB
SCHEMBL23387356 0.93 KMT2A (0.46) NOTUMRIPK2PIK3CDPIK3CAACACB
SCHEMBL23387353 0.90 ACACB (0.48) RIPK2PIK3CDPIK3CAACACBLCAT
SCHEMBL29689559 0.89 ACACB (0.49) NOTUMRIPK2PIK3CDPIK3CAACACB
SCHEMBL21624773 0.87 CYP11B2 (0.40) SMPD3
SCHEMBL21624770 0.87 CYP11B2 (0.40) SMPD3
SCHEMBL22499975 0.84 SYK (0.50) ACACB
SCHEMBL22499866 0.84 SYK (0.50) ACACB

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 NOTUM 1650/4885RIPK2 3339/4885PIK3CD 2438/4885

“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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