SCHEMBL4512899

SCHEMBL4512899

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TTR P02766 12/20 1.00
MAOA P21397 3/20 0.49
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
PTGER1 P34995 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44
KMT2A Q03164 1/20 0.44
PTGDR Q13258 1/20 0.44
HSD17B10 Q99714 1/20 0.44
AHR P35869 1/20 0.43
TBK1 Q9UHD2 1/20 0.43
PTGER4 P35408 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
SCHEMBL4518628 0.84 TTR (0.73) TTRMAOAKDM4EALDH1A1
SCHEMBL490259 0.83 TTR (0.71) TTRMAOAKDM4EMEN1ALDH1A1
SCHEMBL4514082 0.83 TTR (0.71) TTRMAOAKDM4EMEN1ALDH1A1
SCHEMBL4521521 0.82 TTR (0.70) TTRMAOAMEN1ALDH1A1HPGD
SCHEMBL4517758 0.80 MAOA (0.70) TTRMAOAKDM4EMEN1ALDH1A1
SCHEMBL27687215 0.80 TTR (0.67) TTRMAOAKDM4EAHR
SCHEMBL10623602 0.80 TTR (0.83) TTRMAOAKDM4EMEN1ALDH1A1
SCHEMBL490420 0.79 TTR (1.00) TTRMAOAKDM4EMEN1ALDH1A1
SCHEMBL19642257 0.78 TTR (0.64) TTRMAOAKDM4EALDH1A1AHR
SCHEMBL31193434 0.77 TTR (0.62) TTRMAOAKDM4EMEN1ALDH1A1

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 14 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
CN-101128458-A Tricyclic delta opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2008-02-20 CN disclosed
CN-101119992-A Tricyclic delta opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2008-02-06 CN 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.