SCHEMBL21624703

SCHEMBL21624703

CN1CCN(c2ccc(CC(=O)NC3CCN(c4cncc(C(F)(F)F)c4)C3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ME3 Q16798 1/20 0.44
▸ SIGMAR1 Q99720 4/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ DDR1 Q08345 1/20 0.41
▸ DDR2 Q16832 1/20 0.41
▸ DYRK1A Q13627 2/20 0.41
▸ WNT1 P04628 1/20 0.41
▸ GALR3 O60755 1/20 0.40
▸ OGA O60502 1/20 0.40
▸ RPS6KB1 P23443 1/20 0.40
▸ LDHA P00338 1/20 0.40
▸ LDHB P07195 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ AOC3 Q16853 1/20 0.39
▸ MCHR1 Q99705 1/20 0.39
▸ FPR2 P25090 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
SCHEMBL21624700 1.00 ME3 (0.44) ME3SIGMAR1NPC1RAB9ADDR1
SCHEMBL21625663 0.92 ME3 (0.46) ME3SIGMAR1RPS6KB1KCNH2AOC3
SCHEMBL21625664 0.92 ME3 (0.46) ME3SIGMAR1RPS6KB1KCNH2AOC3
SCHEMBL21624620 0.91 AOC3 (0.47) ME3SIGMAR1AOC3FPR2
SCHEMBL21624621 0.91 AOC3 (0.47) ME3SIGMAR1AOC3FPR2
SCHEMBL23387335 0.90 ME3 (0.45) ME3SIGMAR1RPS6KB1KCNH2AOC3
SCHEMBL21624816 0.90 ME3 (0.43) ME3SIGMAR1RPS6KB1AOC3MCHR1
SCHEMBL23387338 0.90 ME3 (0.45) ME3SIGMAR1RPS6KB1KCNH2AOC3
SCHEMBL21624874 0.90 ME3 (0.44) ME3SIGMAR1OGARPS6KB1AOC3
SCHEMBL21624877 0.90 ME3 (0.44) ME3SIGMAR1OGARPS6KB1AOC3

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-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 ME3 1949/4885SIGMAR1 732/4885NPC1 2445/4885
US-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS TRPV3, CACNA1G, TRPV2 ME3 2914/4885SIGMAR1 1981/4885NPC1 840/4885

“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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