SCHEMBL23387185

SCHEMBL23387185

O=C(Cc1ccc(C2CC2)cc1)NC1CN(c2nc(C(F)(F)F)cs2)CC12CC2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.42
▸ CTSB P07858 2/20 0.42
▸ CTSS P25774 2/20 0.42
▸ CTSK P43235 2/20 0.42
▸ CACNA1G O43497 1/20 0.38
▸ CACNA1H O95180 1/20 0.38
▸ CACNA1I Q9P0X4 1/20 0.38
▸ AOC3 Q16853 1/20 0.34
▸ LCAT P04180 2/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ CCR2 P41597 6/20 0.33
▸ ACACB O00763 1/20 0.33
▸ MGAT2 Q10469 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ GRIA2 P42262 1/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL23387182 1.00 KCNH2 (0.42) KCNH2CTSBCTSSCTSKCACNA1G
SCHEMBL22499982 0.81 GLS (0.41) KCNH2CTSBCTSSCTSKCACNA1G
SCHEMBL22499981 0.81 GLS (0.41) KCNH2CTSBCTSSCTSKCACNA1G
SCHEMBL23387266 0.81 CACNA1G (0.40) CACNA1GCACNA1HCACNA1ICSF1RCYP3A4
SCHEMBL23387263 0.81 CACNA1G (0.40) CACNA1GCACNA1HCACNA1ICSF1RCYP3A4
SCHEMBL23387329 0.81 CTSB (0.45) KCNH2CTSBCTSSCTSKLCAT
SCHEMBL23387328 0.81 CTSB (0.45) KCNH2CTSBCTSSCTSKLCAT
SCHEMBL23387160 0.77 CACNA1G (0.38) KCNH2CACNA1GCACNA1HCACNA1IAOC3
SCHEMBL23387156 0.77 CACNA1G (0.38) KCNH2CACNA1GCACNA1HCACNA1IAOC3
SCHEMBL24244060 0.76 CTSK (0.41) KCNH2CTSBCTSSCTSKLCAT

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 5 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
US-20220363667-A1 T-TYPE CALCIUM CHANNEL BLOCKER NIPPON CHEMIPHAR CO., LTD. (JP) 2022-11-17 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 KCNH2 43/4885CTSB 2788/4885CTSS 3599/4885

“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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