SCHEMBL21624756

SCHEMBL21624756

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.53
▸ MCHR1 Q99705 4/20 0.45
▸ TEAD1 P28347 1/20 0.44
▸ OGA O60502 1/20 0.44
▸ RPS6KB1 P23443 1/20 0.44
▸ NOTUM Q6P988 1/20 0.42
▸ CCR2 P41597 2/20 0.42
▸ CA12 O43570 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA4 P22748 2/20 0.42
▸ CA7 P43166 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ ME3 Q16798 1/20 0.42
▸ AOC3 Q16853 1/20 0.41
▸ GRIN2B Q13224 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
SCHEMBL21624755 1.00 SIGMAR1 (0.53) SIGMAR1MCHR1TEAD1OGARPS6KB1
SCHEMBL21624714 0.94 SIGMAR1 (0.46) SIGMAR1RPS6KB1CCR2AOC3
SCHEMBL21624722 0.94 ME3 (0.50) SIGMAR1MCHR1RPS6KB1CCR2ME3
SCHEMBL21624710 0.94 SIGMAR1 (0.46) SIGMAR1RPS6KB1CCR2AOC3
SCHEMBL21624725 0.94 ME3 (0.50) SIGMAR1MCHR1RPS6KB1CCR2ME3
SCHEMBL21624743 0.93 SIGMAR1 (0.48) SIGMAR1MCHR1TEAD1OGARPS6KB1
SCHEMBL21624745 0.93 SIGMAR1 (0.48) SIGMAR1MCHR1TEAD1OGARPS6KB1
SCHEMBL21625642 0.93 CCR2 (0.47) SIGMAR1MCHR1RPS6KB1CCR2ME3
SCHEMBL21625643 0.93 CCR2 (0.47) SIGMAR1MCHR1RPS6KB1CCR2ME3
SCHEMBL22499968 0.93 RPS6KB1 (0.46) SIGMAR1OGARPS6KB1CCR2ME3

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 SIGMAR1 732/4885MCHR1 2447/4885TEAD1 760/4885
US-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS TRPV3, CACNA1G, TRPV2 SIGMAR1 1981/4885MCHR1 2380/4885TEAD1 628/4885

“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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