SCHEMBL30040477

SCHEMBL30040477

COc1ccc2c(c1)C1CCC2N1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
STS P08842 2/20 0.45
EPHX2 P34913 1/20 0.42
HTT P42858 1/20 0.42
GPR119 Q8TDV5 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
OPRM1 P35372 3/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 1/20 0.41
MTNR1B P49286 3/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
USP30 Q70CQ3 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
SCHEMBL30039889 1.00 ALDH1A1 (0.46) ALDH1A1STSEPHX2HTTGPR119
SCHEMBL23112128 0.83 CHRM2 (0.43) ALDH1A1STSMEN1KMT2AMTNR1B
SCHEMBL13138460 0.82 NR1H2 (0.46) ALDH1A1HTTGPR119MEN1KMT2A
SCHEMBL17037848 0.82 CHRM2 (0.40) ALDH1A1GPR119CHRM2CHRM1CHRM3
SCHEMBL29865853 0.82 CNR1 (0.46) ALDH1A1STSHTTGPR119MEN1
SCHEMBL30040501 0.82 CNR1 (0.46) ALDH1A1STSHTTGPR119MEN1
SCHEMBL21465775 0.82 HTT (0.43) ALDH1A1STSEPHX2HTTGPR119
SCHEMBL353212 0.82 ALDH1A1 (0.41) ALDH1A1GPR119MEN1KMT2ACHRM2
SCHEMBL13137753 0.81 GPR119 (0.47) STSGPR119CHRM2CHRM1CHRM3
SCHEMBL29865825 0.81 ALDH1A1 (0.42) ALDH1A1STSEPHX2HTTGPR119

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-20230109801-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CNS DISORDERS BLUE OAK PHARMACEUTICALS, INC. 2023-04-13 US disclosed
EP-4084795-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CNS DISORDERS Blue Oak Pharmaceuticals, Inc. (US) 2022-11-09 EP 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-20230109801-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CNS DISORDERS PMP22, CHAT, ACHE ALDH1A1 1196/4885STS 2791/4885EPHX2 1087/4885

“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.