SCHEMBL3383138

SCHEMBL3383138

Nc1cccc2c(=O)c3ccccc3oc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.64
KDM4E B2RXH2 5/20 0.61
ALDH1A1 P00352 3/20 0.61
GLA P06280 1/20 0.61
CYP3A4 P08684 1/20 0.61
MAPT P10636 1/20 0.61
HPGD P15428 1/20 0.61
PGAM1 P18669 1/20 0.61
CASP1 P29466 1/20 0.61
CASP7 P55210 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HSD17B10 Q99714 1/20 0.61
RAB9A P51151 2/20 0.58
NPC1 O15118 1/20 0.58
LMNA P02545 1/20 0.58
PTGS2 P35354 1/20 0.56
NQO1 P15559 1/20 0.52
CYP19A1 P11511 2/20 0.49
CYP11B1 P15538 2/20 0.49
CYP11B2 P19099 2/20 0.49

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
SCHEMBL23240707 0.86 ATP1A1 (0.47) MAOAKDM4EALDH1A1GLACYP3A4
SCHEMBL2342912 0.84 ALDH1A1 (0.48) MAOAKDM4EALDH1A1GLACYP3A4
SCHEMBL31193433 0.81 MAOA (0.64) MAOAKDM4EALDH1A1GLACYP3A4
SCHEMBL6570481 0.81 MAOA (0.64) MAOAKDM4EALDH1A1GLACYP3A4
SCHEMBL12608741 0.81 MAOA (0.68) MAOAKDM4EALDH1A1GLACYP3A4
SCHEMBL6354852 0.79 MAOA (0.63) MAOAKDM4EALDH1A1GLACYP3A4
SCHEMBL5782106 0.78 MAOA (0.64) MAOAKDM4EALDH1A1GLACYP3A4
SCHEMBL13005222 0.78 MAOA (0.64) MAOAKDM4EALDH1A1GLACYP3A4
SCHEMBL29547534 0.78 MAOA (0.64) MAOAKDM4EALDH1A1GLACYP3A4
SCHEMBL3267918 0.78 MAOA (0.64) MAOAKDM4EALDH1A1GLACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896467-B1 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-01 EP disclosed
EP-1896467-B1 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-01 EP disclosed
US-20090275610-A1 TRICYCLIC OPIOID MODULATORS DECORTE BART 2009-11-05 US disclosed
US-20090275610-A1 TRICYCLIC OPIOID MODULATORS DECORTE BART 2009-11-05 US disclosed
US-20090275610-A1 TRICYCLIC OPIOID MODULATORS DECORTE BART 2009-11-05 US disclosed
US-7582650-B2 Tricyclic opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-01 US disclosed
US-7582650-B2 Tricyclic opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-01 US disclosed
US-7582650-B2 Tricyclic opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-01 US disclosed
EP-1896467-A2 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-12 EP disclosed
WO-2006138528-A2 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V (BE) 2006-12-28 WO disclosed
US-20060287297-A1 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 US disclosed
EP-0457721-A1 NIR-absorbant dyes CIBA-GEIGY AG (CH) 1991-11-21 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 (2 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-20060287297-A1 TRICYCLIC OPIOID MODULATORS OPRD1, OPRM1, OPRK1 MAOA 555/4885KDM4E 2206/4885ALDH1A1 927/4885
US-20090275610-A1 TRICYCLIC OPIOID MODULATORS OPRD1, OPRM1, OPRK1 MAOA 555/4885KDM4E 2206/4885ALDH1A1 927/4885

“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.