SCHEMBL22499982

SCHEMBL22499982

O=C(Cc1ccc(C2CC2)cc1)NC1CCN(c2nc(C(F)(F)F)cs2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 4/20 0.41
▸ SIGMAR1 Q99720 3/20 0.40
▸ CACNA1G O43497 1/20 0.40
▸ CACNA1H O95180 1/20 0.40
▸ CACNA1I Q9P0X4 1/20 0.40
▸ KCNH2 Q12809 2/20 0.39
▸ CTSB P07858 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ AOC3 Q16853 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.38
▸ LCAT P04180 2/20 0.38
▸ CCR3 P51677 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ GRIA2 P42262 1/20 0.38
▸ ME3 Q16798 1/20 0.37
▸ CCR2 P41597 1/20 0.37
▸ USP30 Q70CQ3 1/20 0.37

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
SCHEMBL22499981 1.00 GLS (0.41) GLSSIGMAR1CACNA1GCACNA1HCACNA1I
SCHEMBL22499843 0.87 OGA (0.41) GLSSIGMAR1CACNA1GCACNA1HCACNA1I
SCHEMBL22499842 0.87 OGA (0.41) GLSSIGMAR1CACNA1GCACNA1HCACNA1I
SCHEMBL21624803 0.86 ME3 (0.44) GLSSIGMAR1CYP3A4CYP2D6CYP2C9
SCHEMBL21624801 0.86 ME3 (0.44) GLSSIGMAR1CYP3A4CYP2D6CYP2C9
SCHEMBL21624751 0.83 NLRP3 (0.39) GLSSIGMAR1CACNA1GCACNA1HCACNA1I
SCHEMBL21624748 0.83 NLRP3 (0.39) GLSSIGMAR1CACNA1GCACNA1HCACNA1I
SCHEMBL21624732 0.82 ACACB (0.52) SIGMAR1
SCHEMBL21624733 0.82 ACACB (0.52) SIGMAR1
SCHEMBL23387185 0.81 KCNH2 (0.42) CACNA1GCACNA1HCACNA1IKCNH2CTSB

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 9 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
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
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-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

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 GLS 2110/4885SIGMAR1 732/4885CACNA1G 2/4885
US-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS TRPV3, CACNA1G, TRPV2 GLS 3642/4885SIGMAR1 1981/4885CACNA1G 2/4885

“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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