SCHEMBL21624912

SCHEMBL21624912

CC(C)c1ccc(CC(=O)NC2CN(C(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ GPR119 Q8TDV5 4/20 0.48
▸ KCNK3 O14649 1/20 0.45
▸ KCNK9 Q9NPC2 1/20 0.45
▸ BACE1 P56817 1/20 0.45
▸ KMT2A Q03164 3/20 0.42
▸ CACNA1H O95180 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ CNR2 P34972 1/20 0.40

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
SCHEMBL29689880 0.91 NPC1 (0.62) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL23387204 0.88 ALDH1A1 (0.68) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL31439476 0.79 LMNA (0.54) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL26548921 0.77 RAB9A (0.50) NPC1MAPTHTTRAB9AKMT2A
SCHEMBL30718465 0.76 GPR119 (0.65) GPR119KMT2AMEN1
SCHEMBL27370167 0.76 GPR119 (0.65) GPR119KMT2AMEN1
SCHEMBL654137 0.76 LMNA (0.60) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL29689554 0.76 GPR119 (0.51) ALDH1A1GPR119KMT2ANAMPTMEN1
SCHEMBL21026614 0.76 NPC1 (0.56) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL21624753 0.76 MEN1 (0.50) L3MBTL1KMT2ALMNAEPHX2MEN1

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 NPC1 2445/4885ALDH1A1 3434/4885MAPT 304/4885
US-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS TRPV3, CACNA1G, TRPV2 NPC1 840/4885ALDH1A1 3671/4885MAPT 143/4885

“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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