SCHEMBL4517758

SCHEMBL4517758

COc1cccc2c(=O)c3ccc(C(=O)O)cc3oc12

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 10/20 0.70
TTR P02766 8/20 0.67
NPC1 O15118 2/20 0.64
KDM4E B2RXH2 1/20 0.64
ALDH1A1 P00352 1/20 0.64
LMNA P02545 1/20 0.64
RAB9A P51151 1/20 0.64
ESR1 P03372 1/20 0.48
KDM5A P29375 1/20 0.48
ESR2 Q92731 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL4516477 0.89 MAOA (0.69) MAOATTRNPC1KDM4EALDH1A1
SCHEMBL5103703 0.83 MAOA (0.62) MAOATTRNPC1KDM4EALDH1A1
SCHEMBL4513004 0.83 MAOA (0.62) MAOATTRNPC1KDM4EALDH1A1
SCHEMBL4514082 0.83 TTR (0.71) MAOATTRKDM4EALDH1A1MEN1
SCHEMBL7335491 0.81 MAOA (1.00) MAOANPC1KDM4EALDH1A1LMNA
SCHEMBL21327502 0.81 MAOA (0.75) MAOANPC1KDM4EALDH1A1LMNA
SCHEMBL13712758 0.81 MAOA (0.75) MAOANPC1KDM4EALDH1A1LMNA
SCHEMBL11391221 0.80 MAOA (0.73) MAOANPC1KDM4EALDH1A1LMNA
SCHEMBL3965139 0.80 MAOA (0.73) MAOANPC1KDM4EALDH1A1LMNA
SCHEMBL490259 0.80 TTR (0.71) MAOATTRKDM4EALDH1A1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589104-B2 Tricyclic-bridged piperidinyline derivatives as §-opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-09-15 US disclosed
US-7589104-B2 Tricyclic-bridged piperidinyline derivatives as §-opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-09-15 US disclosed
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS CARSON JOHN R 2008-12-11 US disclosed
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS CARSON JOHN R 2008-12-11 US disclosed
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS CARSON JOHN R 2008-12-11 US disclosed
EP-1836196-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-26 EP disclosed
EP-1833825-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-19 EP disclosed
WO-2006069275-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 WO disclosed
WO-2006069277-A1 TRICYCLIC δ-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 WO disclosed
US-20060135524-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-22 US disclosed
US-20060135522-A1 Tricyclic delta-opioid modulators CARSON JOHN R 2006-06-22 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 (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-20060135524-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 MAOA 948/4885TTR 2536/4885NPC1 1561/4885
US-20060135522-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 MAOA 948/4885TTR 2536/4885NPC1 1561/4885
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS OPRD1, OPRK1, OPRL1 MAOA 948/4885TTR 2536/4885NPC1 1561/4885

“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.