SCHEMBL3382080

SCHEMBL3382080

O=C(O)c1cccc2c(=O)c3ccccc3oc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.63
TBK1 Q9UHD2 1/20 0.56
PTGS2 P35354 1/20 0.55
TTR P02766 6/20 0.55
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 2/20 0.55
GLA P06280 1/20 0.55
CYP3A4 P08684 1/20 0.55
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.55
PGAM1 P18669 1/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MAOB P27338 1/20 0.54
NPC1 O15118 1/20 0.54
LMNA P02545 1/20 0.54
RAB9A P51151 1/20 0.54
MEN1 O00255 1/20 0.52

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
SCHEMBL783749 0.88 NR4A1 (0.50) MAOATBK1KDM4EALDH1A1GLA
SCHEMBL11797746 0.88 TTR (0.51) MAOATBK1TTRALDH1A1GLA
SCHEMBL3382929 0.85 MAOA (0.61) MAOATBK1PTGS2TTRKDM4E
SCHEMBL11319747 0.83 TTR (0.73) MAOATBK1TTRKDM4EALDH1A1
SCHEMBL3384509 0.81 KDM4E (0.61) MAOAPTGS2TTRKDM4EALDH1A1
SCHEMBL1987428 0.81 MAOA (0.62) MAOATBK1TTRKDM4EALDH1A1
SCHEMBL27697686 0.79 MAOA (0.58) MAOATBK1TTRKDM4EALDH1A1
SCHEMBL10949940 0.78 HSD17B10 (0.50) MAOAALDH1A1GLAHSD17B10MAOB
SCHEMBL69699 0.78 NR4A1 (0.54) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL1788224 0.77 MAOA (1.00) MAOAPTGS2KDM4EALDH1A1GLA

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 19 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
CN-101243079-A Tricyclic opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2008-08-13 CN 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
US-5663179-A CAN SENSITIZE MULTIDRUG RESISTANT CANCER CELLS TO CHEMOTHERAPEUTIC AGENTS LABORATOIRES GLAXO SA (FR) 1997-09-02 US disclosed
EP-0649410-B1 ANILIDE DERIVATIVES GLAXO LAB SA (FR) 1997-05-02 EP disclosed
EP-0664806-A1 HETEROCYCLIC CONDENSED BENZOIC ACID DERIVATIVES AS 5-HT 4? RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-08-02 EP disclosed
EP-0649410-A1 ANILIDE DERIVATIVES. GLAXO LAB SA (FR) 1995-04-26 EP disclosed
CN-1092421-A Medicine SMITHKLINE BEECHAM PLC (GB) 1994-09-21 CN disclosed
WO-1994008995-A1 HETEROCYCLIC CONDENSED BENZOIC ACID DERIVATIVES AS 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-04-28 WO disclosed
WO-1994001408-A1 ANILIDE DERIVATIVES LABORATOIRES GLAXO S.A. (FR) 1994-01-20 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 (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 555/4885TBK1 624/4885PTGS2 263/4885
US-20090275610-A1 TRICYCLIC OPIOID MODULATORS OPRD1, OPRM1, OPRK1 MAOA 555/4885TBK1 624/4885PTGS2 263/4885

“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.