SCHEMBL4518628

SCHEMBL4518628

COC(=O)c1ccc2c(=O)c3cccc(Cl)c3oc2c1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TTR P02766 8/20 0.73
MAOA P21397 6/20 0.49
KDM4E B2RXH2 2/20 0.45
CREBBP Q92793 1/20 0.44
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
TNKS O95271 1/20 0.43
PARP1 P09874 1/20 0.42
KIF11 P52732 1/20 0.42

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
SCHEMBL4514982 0.86 TTR (0.53) TTRMAOAKDM4ECREBBPNPC1
SCHEMBL2628182 0.85 TTR (0.52) TTRMAOAKDM4ECREBBPNPC1
SCHEMBL4516477 0.85 MAOA (0.69) TTRMAOAKDM4ECREBBPNPC1
SCHEMBL4512899 0.84 TTR (1.00) TTRMAOAKDM4EALDH1A1
SCHEMBL3966330 0.82 CREBBP (0.56) TTRMAOAKDM4ECREBBPNPC1
SCHEMBL490247 0.81 TTR (0.68) TTRMAOAKDM4ECREBBPNPC1
SCHEMBL4521521 0.81 TTR (0.70) TTRMAOAALDH1A1LMNA
SCHEMBL27687212 0.78 TTR (0.62) TTRMAOAKDM4ENPC1ALDH1A1
SCHEMBL3966334 0.77 TTR (0.66) TTRMAOAKDM4ECREBBPNPC1
SCHEMBL11319698 0.77 KDM4E (0.56) TTRMAOAKDM4ECREBBPNPC1

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 TTR 2536/4885MAOA 948/4885KDM4E 2174/4885
US-20060135522-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 TTR 2536/4885MAOA 948/4885KDM4E 2174/4885
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS OPRD1, OPRK1, OPRL1 TTR 2536/4885MAOA 948/4885KDM4E 2174/4885

“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.