SCHEMBL21624664

SCHEMBL21624664

O=C(Cc1ccc(C2CC2)cc1)NC1CCN(c2cc(F)cc(C(F)(F)F)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 8/20 0.47
▸ CCR3 P51677 2/20 0.46
▸ FFAR4 Q5NUL3 1/20 0.43
▸ CCR2 P41597 4/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ TEAD1 P28347 1/20 0.41
▸ TACR1 P25103 1/20 0.41
▸ RPS6KB1 P23443 1/20 0.41
▸ ME3 Q16798 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
SCHEMBL21624663 1.00 SIGMAR1 (0.47) SIGMAR1CCR3FFAR4CCR2KCNH2
SCHEMBL21624716 0.87 SIGMAR1 (0.45) SIGMAR1CCR2KCNH2RPS6KB1ME3
SCHEMBL21624719 0.87 SIGMAR1 (0.45) SIGMAR1CCR2KCNH2RPS6KB1ME3
SCHEMBL23387151 0.85 SIGMAR1 (0.43) SIGMAR1CCR2KCNH2ME3
SCHEMBL23387153 0.85 SIGMAR1 (0.43) SIGMAR1CCR2KCNH2ME3
SCHEMBL21624688 0.84 NOTUM (0.53) SIGMAR1CCR3CCR2KCNH2ME3
SCHEMBL21624686 0.84 NOTUM (0.53) SIGMAR1CCR3CCR2KCNH2ME3
SCHEMBL21625640 0.82 CCR2 (0.44) SIGMAR1CCR2KCNH2
SCHEMBL21624689 0.81 SIGMAR1 (0.46) SIGMAR1FFAR4CCR2KCNH2
SCHEMBL21624698 0.81 CCNC (0.54) SIGMAR1RPS6KB1ME3

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 732/4885CCR3 3114/4885FFAR4 2511/4885
US-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS TRPV3, CACNA1G, TRPV2 SIGMAR1 1981/4885CCR3 641/4885FFAR4 1221/4885

“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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