SCHEMBL9919833

SCHEMBL9919833

CC(C)(C)[S+]([O-])NC1(c2ccccc2)COC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.35
OPRL1 P41146 3/20 0.35
OPRK1 P41145 2/20 0.35
CHRM2 P08172 7/20 0.31
CHRM1 P11229 7/20 0.31
CHRM4 P08173 6/20 0.31
CHRM5 P08912 6/20 0.31
CHRM3 P20309 6/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
KCNH2 Q12809 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SCN1A P35498 1/20 0.30
SCN5A Q14524 1/20 0.30
SCN8A Q9UQD0 1/20 0.30

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
SCHEMBL25365005 0.87 MMP13 (0.34) OPRM1OPRL1ALDH1A1
SCHEMBL29523581 0.87 MMP13 (0.34) OPRM1OPRL1ALDH1A1
SCHEMBL1534753 0.84 TAAR1 (0.32)
SCHEMBL2173845 0.84
SCHEMBL19330921 0.83 PHGDH (0.40) ALDH1A1
SCHEMBL17869557 0.83 SLC6A3 (0.35)
SCHEMBL19280288 0.83 CHRNA1 (0.35)
SCHEMBL30212887 0.83 CHRNA1 (0.35)
SCHEMBL13088293 0.81 HDAC6 (0.32) ALDH1A1
SCHEMBL23648676 0.81 LMNA (0.41) OPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11866431-B2 Bicyclic compounds VIVACE THERAPEUTICS, INC. (US) 2024-01-09 US disclosed
US-20230061429-A1 BICYCLIC COMPOUNDS VIVACE THERAPEUTICS, INC. 2023-03-02 US disclosed
EP-3877356-A1 BICYCLIC COMPOUNDS Vivace Therapeutics, Inc. (US) 2021-09-15 EP disclosed
CN-113302175-A Bicyclic compounds 维瓦斯治疗公司 2021-08-24 CN disclosed
EP-2649067-B1 BENZOFURANE DERIVATIVES FOR THE TREATMENT OF HEPATITITS C BRISTOL MYERS SQUIBB CO (US) 2014-11-19 EP disclosed
US-8507683-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-13 US disclosed
US-20120309770-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-12-06 US disclosed
WO-2012078545-A1 BENZOFURANE DERIVATIVES FOR THE TREATMENT OF HEPATITITS C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-14 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 (3 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-11866431-B2 Bicyclic compounds YAP1, MYC, TEAD2 OPRM1 2760/4885OPRL1 4169/4885OPRK1 2375/4885
US-20120309770-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 OPRM1 737/4885OPRL1 3373/4885OPRK1 857/4885
US-20230061429-A1 BICYCLIC COMPOUNDS YAP1, MYC, TEAD2 OPRM1 2760/4885OPRL1 4169/4885OPRK1 2375/4885

“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.