SCHEMBL29689724

SCHEMBL29689724

CC(C)(C)OC(=O)N[C@H]1CN(c2cncc(C(F)(F)F)c2)C[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.46
▸ RET P07949 7/20 0.40
▸ EIF2AK4 Q9P2K8 1/20 0.39
▸ RORC P51449 2/20 0.37
▸ RIPK2 O43353 1/20 0.36
▸ SYK P43405 2/20 0.36
▸ SCN2B O60939 1/20 0.35
▸ SCN1A P35498 1/20 0.35
▸ SCN1B Q07699 1/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CCR2 P41597 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ HDAC4 P56524 1/20 0.34
▸ HDAC6 Q9UBN7 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
SCHEMBL24244026 0.87 ACACB (0.48) ACACBRORCRIPK2SYKCHRNB4
SCHEMBL30124167 0.85 RET (0.41) RETEIF2AK4RORCCHRNB4CHRNA3
SCHEMBL23387268 0.84 ACACB (0.45) ACACBRIPK2SCN2BSCN1ASCN1B
SCHEMBL29689845 0.81 SYK (0.50) ACACBSYK
SCHEMBL22499975 0.81 SYK (0.50) ACACBSYK
SCHEMBL29689532 0.81 SYK (0.50) ACACBSYK
SCHEMBL22499866 0.81 SYK (0.50) ACACBSYK
SCHEMBL31124436 0.81 SMN1; SMN2 (0.49) —
SCHEMBL23497670 0.79 SYK (0.51) ACACBRETSYK
SCHEMBL22499810 0.79 SYK (0.51) ACACBRETSYK

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 ACACB 3546/4885RET 2062/4885EIF2AK4 3238/4885
US-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS TRPV3, CACNA1G, TRPV2 ACACB 3157/4885RET 2114/4885EIF2AK4 3134/4885

“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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