SCHEMBL24792914

SCHEMBL24792914

CC(C)(C)OC(=O)N1C[C@@H]2CN(c3ccc4[nH]c(=O)oc4c3)C[C@@H]2C1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.41
GPR119 Q8TDV5 3/20 0.40
GLRA3 O75311 1/20 0.39
GLRA1 P23415 1/20 0.39
GLRB P48167 1/20 0.39
LIPE Q05469 1/20 0.39
ATXN2 Q99700 1/20 0.39

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
SCHEMBL29709817 1.00 CREBBP (0.41) CREBBPGPR119GLRA3GLRA1GLRB
SCHEMBL24794177 0.86 ALDH1A1 (0.50) GPR119
SCHEMBL24793633 0.85 CREBBP (0.41) CREBBP
SCHEMBL29709647 0.85 CREBBP (0.41) CREBBP
SCHEMBL24793649 0.84 JAK1 (0.42) CREBBPGPR119
SCHEMBL24792918 0.83 EPHX2 (0.41) GPR119LIPE
SCHEMBL24792917 0.83 NR1H2 (0.47) CREBBP
SCHEMBL24794739 0.82 ENPP2 (0.45) ATXN2
SCHEMBL29709766 0.82 ENPP2 (0.45) ATXN2
SCHEMBL24793630 0.81 ATXN2 (0.48) ATXN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402901-A1 SUBSTITUTED N-HETEROCYCLIC CARBOXAMIDES AS ACID CERAMIDASE INHIBITORS AND THEIR USE AS MEDICAMENTS BIAL R&D INVEST S A (PT) 2022-12-22 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 (1 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-20220402901-A1 SUBSTITUTED N-HETEROCYCLIC CARBOXAMIDES AS ACID CERAMIDASE INHIBITORS AND THEIR USE AS MEDICAMENTS ASAH2, ASAH1, GBA1 CREBBP 1406/4885GPR119 1919/4885GLRA3 3177/4885

“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.