SCHEMBL21625664

SCHEMBL21625664

O=C(Cc1ccc(N2CCCC2)cc1)NC1CCN(c2cncc(C(F)(F)F)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ME3 Q16798 1/20 0.46
▸ SIGMAR1 Q99720 4/20 0.45
▸ RPS6KB1 P23443 2/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ GRIA2 P42262 1/20 0.41
▸ USP36 Q9P275 1/20 0.41
▸ CCR2 P41597 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ AOC3 Q16853 1/20 0.41
▸ CCNC P24863 1/20 0.40
▸ CDK8 P49336 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ S100A4 P26447 1/20 0.40
▸ FPR1 P21462 1/20 0.40
▸ FPR2 P25090 1/20 0.40
▸ NOTUM Q6P988 1/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ PIK3CA P42336 1/20 0.39

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
SCHEMBL21625663 1.00 ME3 (0.46) ME3SIGMAR1RPS6KB1CYP3A4CYP2D6
SCHEMBL21624877 0.93 ME3 (0.44) ME3SIGMAR1RPS6KB1AOC3CCNC
SCHEMBL21624874 0.93 ME3 (0.44) ME3SIGMAR1RPS6KB1AOC3CCNC
SCHEMBL21624756 0.92 SIGMAR1 (0.53) ME3SIGMAR1RPS6KB1CCR2AOC3
SCHEMBL21624755 0.92 SIGMAR1 (0.53) ME3SIGMAR1RPS6KB1CCR2AOC3
SCHEMBL21624707 0.92 ME3 (0.44) ME3SIGMAR1RPS6KB1CYP3A4CYP2D6
SCHEMBL21624705 0.92 ME3 (0.44) ME3SIGMAR1RPS6KB1CYP3A4CYP2D6
SCHEMBL21624819 0.92 AOC3 (0.52) ME3SIGMAR1RPS6KB1CYP3A4CYP2D6
SCHEMBL21624703 0.92 ME3 (0.44) ME3SIGMAR1RPS6KB1KCNH2AOC3
SCHEMBL21624818 0.92 AOC3 (0.52) ME3SIGMAR1RPS6KB1CYP3A4CYP2D6

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 10 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-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-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 ME3 1949/4885SIGMAR1 732/4885RPS6KB1 1000/4885
US-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS TRPV3, CACNA1G, TRPV2 ME3 2914/4885SIGMAR1 1981/4885RPS6KB1 2383/4885

“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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