SCHEMBL21624797

SCHEMBL21624797

CC(C)(C)c1csc(N2CC[C@@H](N)C2)n1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.56
▸ HRH4 Q9H3N8 9/20 0.53
▸ OGA O60502 1/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.39
▸ CTSB P07858 2/20 0.39
▸ CTSS P25774 2/20 0.39
▸ CTSK P43235 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ PRKCI P41743 1/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CTSL P07711 1/20 0.36
▸ ATAD2 Q6PL18 1/20 0.36
▸ UCHL1 P09936 1/20 0.36
▸ AKT1 P31749 1/20 0.34

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
SCHEMBL21624799 1.00 LMNA (0.56) LMNAHRH4OGAHRH3CTSB
SCHEMBL4503759 0.85 LCAT (0.42) LMNAHRH4OGAHRH3CTSB
SCHEMBL4503756 0.85 LCAT (0.42) LMNAHRH4OGAHRH3CTSB
SCHEMBL10185759 0.79 LMNA (0.63) LMNAOGAHRH3CTSBCTSS
SCHEMBL21624915 0.77 LMNA (0.47) LMNAHRH3CTSBCTSSCTSK
SCHEMBL21624916 0.77 LMNA (0.47) LMNAHRH3CTSBCTSSCTSK
SCHEMBL10236327 0.76 LMNA (0.73) LMNAOGACTSBCTSSCTSK
SCHEMBL4496451 0.76 LCAT (0.46) LMNAOGAHRH3CTSBCTSS
SCHEMBL23387304 0.75 LMNA (0.48) LMNAHRH4HRH3CTSBCTSS
SCHEMBL23387302 0.75 LMNA (0.48) LMNAHRH4HRH3CTSBCTSS

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 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 LMNA 3066/4885HRH4 538/4885OGA 4527/4885
US-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS TRPV3, CACNA1G, TRPV2 LMNA 3286/4885HRH4 149/4885OGA 3987/4885

“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.

Send feedback