SCHEMBL21624787

SCHEMBL21624787

O=C(Cc1ccc(C2CC2)cc1)NC1CN(c2ccc(F)c(C(F)(F)F)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.48
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ GRIA2 P42262 1/20 0.42
▸ CCR2 P41597 3/20 0.42
▸ KCNH2 Q12809 3/20 0.42
▸ AOC3 Q16853 1/20 0.41
▸ SIGMAR1 Q99720 4/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ ACACB O00763 2/20 0.40
▸ GRIN2B Q13224 2/20 0.39
▸ P2RX7 Q99572 1/20 0.39
▸ RXRA P19793 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 1/20 0.39
▸ TAS1R2 Q8TE23 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL21624688 0.93 NOTUM (0.53) NOTUMCYP3A4CYP2D6CYP2C9GRIA2
SCHEMBL21624686 0.93 NOTUM (0.53) NOTUMCYP3A4CYP2D6CYP2C9GRIA2
SCHEMBL21624649 0.84 SIGMAR1 (0.52) NOTUMCYP3A4CYP2D6CYP2C9GRIA2
SCHEMBL21625630 0.82 NOTUM (0.55) NOTUMAOC3SIGMAR1TRPV1ACACB
SCHEMBL21625629 0.82 NOTUM (0.55) NOTUMAOC3SIGMAR1TRPV1ACACB
SCHEMBL21624664 0.76 SIGMAR1 (0.47) CCR2KCNH2SIGMAR1
SCHEMBL21624663 0.76 SIGMAR1 (0.47) CCR2KCNH2SIGMAR1
SCHEMBL21624624 0.76 CCNC (0.44) NOTUMCYP3A4CYP2D6CYP2C9GRIA2
SCHEMBL21624625 0.76 CCNC (0.44) NOTUMCYP3A4CYP2D6CYP2C9GRIA2
SCHEMBL30004420 0.76 CCNC (0.44) NOTUMCYP3A4CYP2D6CYP2C9GRIA2

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-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-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-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 NOTUM 3172/4885CYP3A4 1013/4885CYP2D6 1069/4885
US-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS TRPV3, CACNA1G, TRPV2 NOTUM 1650/4885CYP3A4 1558/4885CYP2D6 1107/4885

“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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