SCHEMBL21624688

SCHEMBL21624688

O=C(Cc1ccc(C2CC2)cc1)NC1CCN(c2ccc(F)c(C(F)(F)F)c2)C1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 5/20 0.53
▸ ACACB O00763 2/20 0.43
▸ SIGMAR1 Q99720 4/20 0.43
▸ TRPV1 Q8NER1 1/20 0.43
▸ ME3 Q16798 1/20 0.42
▸ AOC3 Q16853 1/20 0.41
▸ CCNC P24863 1/20 0.41
▸ CDK8 P49336 1/20 0.41
▸ CCR2 P41597 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ CCR3 P51677 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ GRIA2 P42262 1/20 0.40

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
SCHEMBL21624686 1.00 NOTUM (0.53) NOTUMACACBSIGMAR1TRPV1ME3
SCHEMBL21624787 0.93 NOTUM (0.48) NOTUMACACBSIGMAR1TRPV1AOC3
SCHEMBL21625630 0.90 NOTUM (0.55) NOTUMACACBSIGMAR1TRPV1ME3
SCHEMBL21625629 0.90 NOTUM (0.55) NOTUMACACBSIGMAR1TRPV1ME3
SCHEMBL21624663 0.84 SIGMAR1 (0.47) SIGMAR1ME3CCR2KCNH2CCR3
SCHEMBL21624664 0.84 SIGMAR1 (0.47) SIGMAR1ME3CCR2KCNH2CCR3
SCHEMBL21624624 0.83 CCNC (0.44) NOTUMSIGMAR1ME3CCNCCDK8
SCHEMBL30004420 0.83 CCNC (0.44) NOTUMSIGMAR1ME3CCNCCDK8
SCHEMBL21624625 0.83 CCNC (0.44) NOTUMSIGMAR1ME3CCNCCDK8
SCHEMBL23387319 0.82 CCNC (0.39) NOTUMSIGMAR1ME3CCNCCDK8

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 NOTUM 3172/4885ACACB 3546/4885SIGMAR1 732/4885
US-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS TRPV3, CACNA1G, TRPV2 NOTUM 1650/4885ACACB 3157/4885SIGMAR1 1981/4885

“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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