SCHEMBL4513004

SCHEMBL4513004

CCN(CC)C(=O)c1ccc2c(=O)c3cccc(OC)c3oc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 11/20 0.62
LMNA P02545 3/20 0.56
ALDH1A1 P00352 2/20 0.56
NPC1 O15118 2/20 0.56
KDM4E B2RXH2 1/20 0.56
RAB9A P51151 1/20 0.56
TTR P02766 1/20 0.50
CYP1A2 P05177 1/20 0.49
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
BLM P54132 1/20 0.49
ESR1 P03372 1/20 0.46
KDM5A P29375 1/20 0.46
ESR2 Q92731 1/20 0.46
CSF1R P07333 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL4521521 0.85 TTR (0.70) MAOALMNAALDH1A1TTRHSP90AA1
SCHEMBL4516615 0.85 TTR (0.53) MAOALMNAALDH1A1TTRHSP90AA1
SCHEMBL490132 0.84 TTR (0.52) MAOALMNAALDH1A1KDM4ETTR
SCHEMBL4517758 0.83 MAOA (0.70) MAOALMNAALDH1A1NPC1KDM4E
SCHEMBL4516477 0.82 MAOA (0.69) MAOALMNAALDH1A1NPC1KDM4E
SCHEMBL5103703 0.82 MAOA (0.62) MAOALMNAALDH1A1NPC1KDM4E
SCHEMBL490073 0.81 TTR (0.63) MAOALMNAALDH1A1NPC1KDM4E
SCHEMBL490108 0.80 NPC1 (0.56) MAOALMNAALDH1A1NPC1KDM4E
SCHEMBL5094856 0.76 MAOA (0.53) MAOALMNAALDH1A1TTRCYP1A2
SCHEMBL7335491 0.76 MAOA (1.00) MAOALMNAALDH1A1NPC1KDM4E

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
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-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 948/4885LMNA 4142/4885ALDH1A1 1302/4885
US-20060135522-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 MAOA 948/4885LMNA 4142/4885ALDH1A1 1302/4885
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS OPRD1, OPRK1, OPRL1 MAOA 948/4885LMNA 4142/4885ALDH1A1 1302/4885

“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.