SCHEMBL29689444

SCHEMBL29689444

CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)Cc2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.54
▸ HDAC4 P56524 3/20 0.53
▸ HDAC6 Q9UBN7 2/20 0.53
▸ USP30 Q70CQ3 5/20 0.51
▸ GPR119 Q8TDV5 3/20 0.50
▸ EPHX2 P34913 1/20 0.49
▸ TACR1 P25103 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TEAD1 P28347 1/20 0.46

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
SCHEMBL31439476 0.87 LMNA (0.54) SIGMAR1USP30GPR119MAPTMEN1
SCHEMBL27370167 0.86 GPR119 (0.65) SIGMAR1USP30GPR119MEN1KMT2A
SCHEMBL30718465 0.86 GPR119 (0.65) SIGMAR1USP30GPR119MEN1KMT2A
SCHEMBL29689554 0.86 GPR119 (0.51) HDAC4HDAC6USP30GPR119MEN1
SCHEMBL29689880 0.85 NPC1 (0.62) USP30GPR119EPHX2MAPTMEN1
SCHEMBL23387280 0.84 SIGMAR1 (0.64) SIGMAR1USP30EPHX2MEN1KMT2A
SCHEMBL23387283 0.84 SIGMAR1 (0.64) SIGMAR1USP30EPHX2MEN1KMT2A
SCHEMBL29689572 0.84 SIGMAR1 (0.53) SIGMAR1EPHX2TEAD1
SCHEMBL3642671 0.82 MEN1 (0.57) SIGMAR1GPR119EPHX2MAPTMEN1
SCHEMBL2636671 0.80 MEN1 (0.57) SIGMAR1USP30GPR119EPHX2MAPT

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 2 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

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 SIGMAR1 732/4885HDAC4 2145/4885HDAC6 1657/4885
US-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS TRPV3, CACNA1G, TRPV2 SIGMAR1 1981/4885HDAC4 2450/4885HDAC6 2446/4885

“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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