SCHEMBL21625629

SCHEMBL21625629

O=C(Cc1ccc(C(F)(F)F)cc1)N[C@@H]1CCN(c2ccc(F)c(C(F)(F)F)c2)C1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.55
▸ SIGMAR1 Q99720 5/20 0.52
▸ MCHR1 Q99705 3/20 0.46
▸ ACACB O00763 2/20 0.45
▸ TRPV1 Q8NER1 1/20 0.44
▸ TEAD1 P28347 1/20 0.44
▸ ME3 Q16798 1/20 0.43
▸ OGA O60502 1/20 0.43
▸ AOC3 Q16853 1/20 0.43

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
SCHEMBL21625630 1.00 NOTUM (0.55) NOTUMSIGMAR1MCHR1ACACBTRPV1
SCHEMBL21624686 0.90 NOTUM (0.53) NOTUMSIGMAR1ACACBTRPV1ME3
SCHEMBL21624688 0.90 NOTUM (0.53) NOTUMSIGMAR1ACACBTRPV1ME3
SCHEMBL12894863 0.83 SIGMAR1 (0.67) NOTUMSIGMAR1ME3
SCHEMBL23387378 0.82 NOTUM (0.68) NOTUMACACB
SCHEMBL23387375 0.82 NOTUM (0.68) NOTUMACACB
SCHEMBL21624787 0.82 NOTUM (0.48) NOTUMSIGMAR1ACACBTRPV1AOC3
SCHEMBL21624626 0.80 CCNC (0.55) NOTUMSIGMAR1TRPV1TEAD1ME3
SCHEMBL21624627 0.80 CCNC (0.55) NOTUMSIGMAR1TRPV1TEAD1ME3
SCHEMBL21624755 0.80 SIGMAR1 (0.53) NOTUMSIGMAR1MCHR1TEAD1ME3

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 13 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-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-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-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-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 NOTUM 3172/4885SIGMAR1 732/4885MCHR1 2447/4885
US-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS TRPV3, CACNA1G, TRPV2 NOTUM 1650/4885SIGMAR1 1981/4885MCHR1 2380/4885

“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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