SCHEMBL21624779

SCHEMBL21624779

CC(C)c1ccc(CC(=O)NC2CCNCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.55
▸ POLB P06746 1/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ MEN1 O00255 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ EPHX2 P34913 3/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ CNR2 P34972 1/20 0.47
▸ NLRP3 Q96P20 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ EPHX1 P07099 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CHRM1 P11229 1/20 0.44
▸ CHRM3 P20309 1/20 0.44

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
SCHEMBL21624693 0.92 LMNA (0.49) LMNAPOLBKMT2AMEN1NPC1
SCHEMBL21624691 0.92 LMNA (0.49) LMNAPOLBKMT2AMEN1NPC1
SCHEMBL21424360 0.92 LMNA (0.49) LMNAPOLBKMT2AMEN1NPC1
SCHEMBL23387364 0.85 LMNA (0.50) LMNAPOLBKMT2AMEN1NPC1
SCHEMBL27396501 0.85 POLB (0.70) LMNAPOLBKMT2AMEN1NPC1
SCHEMBL652791 0.84 LMNA (0.79) LMNAPOLBKMT2AMEN1NPC1
Hydrochloric Acid SCHEMBL6473105 0.82 LMNA (0.77) LMNAPOLBKMT2AMEN1NPC1
SCHEMBL14924027 0.82 L3MBTL1 (0.55) LMNAPOLBKMT2AMEN1NPC1
SCHEMBL16825757 0.81 SIGMAR1 (0.58) LMNAPOLBKMT2AMEN1NPC1
SCHEMBL3638096 0.81 SIGMAR1 (0.58) LMNAPOLBKMT2AMEN1NPC1

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 7 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-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 LMNA 3066/4885POLB 2441/4885KMT2A 2926/4885
US-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS TRPV3, CACNA1G, TRPV2 LMNA 3286/4885POLB 3318/4885KMT2A 2174/4885

“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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