SCHEMBL23387167

SCHEMBL23387167

O=C(Cc1ccc(N2C3CCC2COC3)cc1)NC1CCN(c2ccc(C(F)(F)F)nc2)C1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 1/20 0.52
▸ CDK8 P49336 1/20 0.52
▸ CHRM4 P08173 4/20 0.41
▸ RPS6KB1 P23443 1/20 0.40
▸ CA12 O43570 6/20 0.40
▸ CA1 P00915 6/20 0.40
▸ CA2 P00918 6/20 0.40
▸ CA4 P22748 6/20 0.40
▸ CA7 P43166 6/20 0.40
▸ CA9 Q16790 6/20 0.40
▸ TRPV1 Q8NER1 2/20 0.40
▸ ME3 Q16798 1/20 0.39
▸ TGM2 P21980 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ SIGMAR1 Q99720 2/20 0.39
▸ CHRM2 P08172 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38

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
SCHEMBL23387166 1.00 CCNC (0.52) CCNCCDK8CHRM4RPS6KB1CA12
SCHEMBL21624669 0.87 CCNC (0.53) CCNCCDK8CHRM4RPS6KB1ME3
SCHEMBL21624666 0.87 CCNC (0.53) CCNCCDK8CHRM4RPS6KB1ME3
SCHEMBL21624627 0.86 CCNC (0.55) CCNCCDK8CHRM4CA12CA1
SCHEMBL21624626 0.86 CCNC (0.55) CCNCCDK8CHRM4CA12CA1
SCHEMBL23387173 0.85 SIGMAR1 (0.41) CCNCCDK8RPS6KB1CA12CA1
SCHEMBL23387175 0.85 SIGMAR1 (0.41) CCNCCDK8RPS6KB1CA12CA1
SCHEMBL21624652 0.85 CCNC (0.55) CCNCCDK8CHRM4RPS6KB1TRPV1
SCHEMBL21624653 0.85 CCNC (0.55) CCNCCDK8CHRM4RPS6KB1TRPV1
SCHEMBL23387223 0.84 CCNC (0.47) CCNCCDK8CHRM4RPS6KB1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220363667-A1 T-TYPE CALCIUM CHANNEL BLOCKER NIPPON CHEMIPHAR CO., LTD. (JP) 2022-11-17 — — US claimed
EP-3825303-A1 T-TYPE CALCIUM CHANNEL BLOCKER Nippon Chemiphar Co., Ltd. (JP) 2021-05-26 — — EP claimed
US-20220363667-A1 T-TYPE CALCIUM CHANNEL BLOCKER NIPPON CHEMIPHAR CO., LTD. (JP) 2022-11-17 — — US disclosed
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 (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-20220363667-A1 T-TYPE CALCIUM CHANNEL BLOCKER CACNA1I, CACNA1G, CACNA1H CCNC 2279/4885CDK8 3333/4885CHRM4 454/4885
US-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS TRPV3, CACNA1G, TRPV2 CCNC 3247/4885CDK8 2267/4885CHRM4 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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