SCHEMBL21624649

SCHEMBL21624649

O=C(Cc1ccc(C2CC2)cc1)NC1CN(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.52
▸ KCNH2 Q12809 7/20 0.49
▸ CCR2 P41597 6/20 0.49
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ GRIA2 P42262 1/20 0.45
▸ ME3 Q16798 2/20 0.45
▸ ME2 P23368 1/20 0.45
▸ ME1 P48163 1/20 0.45
▸ CNR1 P21554 1/20 0.44
▸ P2RX7 Q99572 2/20 0.43
▸ NOTUM Q6P988 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL21624787 0.84 NOTUM (0.48) SIGMAR1KCNH2CCR2CYP3A4CYP2D6
SCHEMBL21624663 0.81 SIGMAR1 (0.47) SIGMAR1KCNH2CCR2ME3
SCHEMBL21624664 0.81 SIGMAR1 (0.47) SIGMAR1KCNH2CCR2ME3
SCHEMBL12894863 0.79 SIGMAR1 (0.67) SIGMAR1ME3NOTUM
SCHEMBL21624716 0.78 SIGMAR1 (0.45) SIGMAR1KCNH2CCR2CYP3A4CYP2D6
SCHEMBL21624719 0.78 SIGMAR1 (0.45) SIGMAR1KCNH2CCR2CYP3A4CYP2D6
SCHEMBL21624687 0.78 SIGMAR1 (0.48) SIGMAR1CYP3A4CYP2D6CYP2C9GRIA2
SCHEMBL21624701 0.78 CCNC (0.54) SIGMAR1CYP3A4CYP2D6CYP2C9GRIA2
SCHEMBL21624698 0.78 CCNC (0.54) SIGMAR1CYP3A4CYP2D6CYP2C9GRIA2
SCHEMBL12894867 0.77 SIGMAR1 (0.61) SIGMAR1ME3CNR1NOTUM

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-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-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-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 732/4885KCNH2 43/4885CCR2 2397/4885
US-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS TRPV3, CACNA1G, TRPV2 SIGMAR1 1981/4885KCNH2 121/4885CCR2 2218/4885

“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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