SCHEMBL21624666

SCHEMBL21624666

O=C(Cc1ccc(N2CCOCC2)cc1)N[C@@H]1CCN(c2ccc(C(F)(F)F)nc2)C1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 1/20 0.53
▸ CDK8 P49336 1/20 0.53
▸ ME3 Q16798 1/20 0.47
▸ CHRM4 P08173 4/20 0.45
▸ AOC3 Q16853 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ TGM2 P21980 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ERCC1 P07992 1/20 0.42
▸ ERCC4 Q92889 1/20 0.42
▸ RPS6KB1 P23443 1/20 0.42
▸ ENPP2 Q13822 2/20 0.41
▸ SIGMAR1 Q99720 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ USP30 Q70CQ3 1/20 0.41
▸ HPGDS O60760 1/20 0.41
▸ CHRM2 P08172 1/20 0.40

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
SCHEMBL21624669 1.00 CCNC (0.53) CCNCCDK8ME3CHRM4AOC3
SCHEMBL21624627 0.89 CCNC (0.55) CCNCCDK8ME3CHRM4TGM2
SCHEMBL21624626 0.89 CCNC (0.55) CCNCCDK8ME3CHRM4TGM2
SCHEMBL21624652 0.88 CCNC (0.55) CCNCCDK8ME3CHRM4HRH3
SCHEMBL21624653 0.88 CCNC (0.55) CCNCCDK8ME3CHRM4HRH3
SCHEMBL21624701 0.87 CCNC (0.54) CCNCCDK8ME3CHRM4HRH3
SCHEMBL21624698 0.87 CCNC (0.54) CCNCCDK8ME3CHRM4HRH3
SCHEMBL23387166 0.87 CCNC (0.52) CCNCCDK8ME3CHRM4HRH3
SCHEMBL23387167 0.87 CCNC (0.52) CCNCCDK8ME3CHRM4HRH3
SCHEMBL21625662 0.85 CCNC (0.54) CCNCCDK8ME3CHRM4HRH3

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 14 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
US-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS NIPPON CHEMIPHAR CO., LTD. (JP) 2022-07-21 — — US claimed
EP-3950059-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS Nippon Chemiphar Co., Ltd. (JP) 2022-02-09 — — EP claimed
EP-3825303-A1 T-TYPE CALCIUM CHANNEL BLOCKER Nippon Chemiphar Co., Ltd. (JP) 2021-05-26 — — EP claimed
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 claimed
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 claimed
WO-2020017569-A1 T-TYPE CALCIUM CHANNEL BLOCKER 日本ケミファ株式会社 2020-01-23 — — WO 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
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-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-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 3333/4885ME3 1949/4885
US-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS TRPV3, CACNA1G, TRPV2 CCNC 3247/4885CDK8 2267/4885ME3 2914/4885

“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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