SCHEMBL618063

SCHEMBL618063

O/N=C1/CC2(CCC2)Oc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 16/20 0.52
MAOA P21397 5/20 0.46
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.44
NFKB1 P19838 1/20 0.44
GRM5 P41594 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
PDK2 Q15119 1/20 0.39
TOP1 P11387 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
SCHEMBL618064 1.00 MAOB (0.52) MAOBMAOAALDH1A1HPGDNPC1
SCHEMBL619838 0.83 MAOB (0.71) MAOBMAOAALDH1A1HPGDNPC1
SCHEMBL11112031 0.81 MAOB (0.71) MAOBMAOAALDH1A1HPGDNPC1
SCHEMBL619821 0.80 KDM4E (0.43) ALDH1A1HPGDSMN1; SMN2KDM4ELMNA
SCHEMBL619822 0.80 KDM4E (0.43) ALDH1A1HPGDSMN1; SMN2KDM4ELMNA
SCHEMBL9487931 0.77 MAOB (0.66) MAOBMAOAALDH1A1HPGDNPC1
SCHEMBL9487929 0.77 MAOB (0.66) MAOBMAOAALDH1A1HPGDNPC1
SCHEMBL620168 0.77 ALDH1A1 (0.36) ALDH1A1HPGDSMN1; SMN2KDM4ELMNA
SCHEMBL6603113 0.75 MAOB (0.60) MAOBMAOAALDH1A1HPGDNPC1
SCHEMBL6603109 0.75 MAOB (0.60) MAOBMAOAALDH1A1HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931681-B1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS SA (CH) 2012-11-14 EP disclosed
US-20120277259-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-11-01 US disclosed
US-20120041011-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-02-16 US disclosed
US-20110021549-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-01-27 US disclosed
US-7842703-B2 Substituted benzofused derivatives and their use as vanilloid receptor ligands GLENMARK PHARMACEUTICALS S.A. (CH) 2010-11-30 US disclosed
US-20080269253-A1 Substituted Benzofused Derivatives and Their Use as Vanilloid Receptor Ligands GLENMARK PHARMACEUTICALS, S.A. (CH) 2008-10-30 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 (4 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-20080269253-A1 Substituted Benzofused Derivatives and Their Use as Vanilloid Receptor Ligands TRPV1, GPR17, TRPV6 MAOB 928/4885MAOA 967/4885ALDH1A1 665/4885
US-20120041011-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 MAOB 926/4885MAOA 892/4885ALDH1A1 604/4885
US-20110021549-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 MAOB 926/4885MAOA 892/4885ALDH1A1 604/4885
US-20120277259-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 MAOB 928/4885MAOA 967/4885ALDH1A1 665/4885

“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.