SCHEMBL21624652

SCHEMBL21624652

O=C(Cc1ccc(Br)cc1)N[C@@H]1CCN(c2ccc(C(F)(F)F)nc2)C1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 1/20 0.55
▸ CDK8 P49336 1/20 0.55
▸ SIGMAR1 Q99720 3/20 0.47
▸ CHRM4 P08173 4/20 0.44
▸ CCR2 P41597 1/20 0.44
▸ ME3 Q16798 1/20 0.43
▸ RPS6KB1 P23443 1/20 0.43
▸ USP30 Q70CQ3 1/20 0.43
▸ TRPV1 Q8NER1 3/20 0.42
▸ TRPM8 Q7Z2W7 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ TGM2 P21980 1/20 0.42
▸ NR1H2 P55055 1/20 0.42
▸ CHRM2 P08172 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
SCHEMBL21624653 1.00 CCNC (0.55) CCNCCDK8SIGMAR1CHRM4CCR2
SCHEMBL21624627 0.91 CCNC (0.55) CCNCCDK8SIGMAR1CHRM4ME3
SCHEMBL21624626 0.91 CCNC (0.55) CCNCCDK8SIGMAR1CHRM4ME3
SCHEMBL21624698 0.89 CCNC (0.54) CCNCCDK8SIGMAR1CHRM4ME3
SCHEMBL21624701 0.89 CCNC (0.54) CCNCCDK8SIGMAR1CHRM4ME3
SCHEMBL21624666 0.88 CCNC (0.53) CCNCCDK8SIGMAR1CHRM4ME3
SCHEMBL21624669 0.88 CCNC (0.53) CCNCCDK8SIGMAR1CHRM4ME3
SCHEMBL21625662 0.87 CCNC (0.54) CCNCCDK8CHRM4ME3RPS6KB1
SCHEMBL21625661 0.87 CCNC (0.54) CCNCCDK8CHRM4ME3RPS6KB1
SCHEMBL23387167 0.85 CCNC (0.52) CCNCCDK8SIGMAR1CHRM4ME3

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 7 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 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
WO-2020203610-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING RHEUMATOID ARTHRITIS 日本ケミファ株式会社 2020-10-08 — — WO disclosed
WO-2020203609-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS 日本ケミファ株式会社 2020-10-08 — — WO disclosed
WO-2020017569-A1 T-TYPE CALCIUM CHANNEL BLOCKER 日本ケミファ株式会社 2020-01-23 — — WO 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 3333/4885SIGMAR1 732/4885
US-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS TRPV3, CACNA1G, TRPV2 CCNC 3247/4885CDK8 2267/4885SIGMAR1 1981/4885

“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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