SCHEMBL2974161

SCHEMBL2974161

CC(S)c1coc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.39
MAOA P21397 2/20 0.39
PTPN1 P18031 1/20 0.39
CA2 P00918 1/20 0.38
HSD17B2 P37059 1/20 0.37
FTO Q9C0B1 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
PTGS2 P35354 1/20 0.36
PSMB8 P28062 1/20 0.35
PSMB5 P28074 1/20 0.35
CMA1 P23946 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL904863 0.83 MAOB (0.41) MAOBMAOAPTPN1CA2HSD17B2
SCHEMBL140190 0.79 CA2 (0.41) MAOBMAOAPTPN1CA2HSD17B2
SCHEMBL28394138 0.79 MAOB (0.43) MAOBMAOAPTPN1CA2HSD17B2
SCHEMBL28392768 0.79 MAOB (0.43) MAOBMAOAPTPN1CA2HSD17B2
SCHEMBL6214674 0.79 MAOB (0.39) MAOBMAOAPTPN1CA2HSD17B2
SCHEMBL30824592 0.79 CA2 (0.41) MAOBMAOAPTPN1CA2HSD17B2
SCHEMBL2960730 0.79 MAOB (0.43) MAOBMAOAPTPN1CA2HSD17B2
SCHEMBL14270019 0.76 TSHR (0.47) MAOBMAOAPTPN1CA2HSD17B2
SCHEMBL23627355 0.75 MAOB (0.43) MAOBMAOAPTPN1CA2HSD17B2
SCHEMBL4152831 0.75 MAOB (0.47) MAOBMAOAPTPN1CA2HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10913727-B2 Modulators of the integrated stress pathway ABBVIE INC. (US) 2021-02-09 US disclosed
US-20190135772-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2019-05-09 US disclosed
US-7776848-B2 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2010-08-17 US disclosed
EP-1778680-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2008-10-08 EP disclosed
US-20070213351-A1 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2007-09-13 US disclosed
EP-1778680-A2 SPIROCYCLIC CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2007-05-02 EP disclosed
WO-2006018184-A2 SPIROCYCLIC CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2006-02-23 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-20070213351-A1 Spirocyclic cyclohexane compounds PKD1, PKD2, NR3C2 MAOB 1870/4885MAOA 1878/4885PTPN1 2850/4885
US-10913727-B2 Modulators of the integrated stress pathway ATF4, ATF1, DDIT3 MAOB 2933/4885MAOA 3476/4885PTPN1 3544/4885
US-20190135772-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 MAOB 2933/4885MAOA 3476/4885PTPN1 3544/4885

“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.