SCHEMBL4516615

SCHEMBL4516615

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTR P02766 5/20 0.53
HPGD P15428 6/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAOA P21397 3/20 0.43
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 3/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
HSP90AA1 P07900 2/20 0.40
HSP90AB1 P08238 2/20 0.40

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 0.88 TTR (0.70) TTRHPGDTDP1MAOALMNA
SCHEMBL490132 0.87 TTR (0.52) TTRHPGDTDP1MAOALMNA
SCHEMBL4513004 0.85 MAOA (0.62) TTRHPGDMAOALMNAMEN1
SCHEMBL490073 0.84 TTR (0.63) TTRHPGDTDP1MAOALMNA
SCHEMBL4514082 0.82 TTR (0.71) TTRHPGDMAOAMEN1KMT2A
SCHEMBL4514982 0.79 TTR (0.53) TTRMAOALMNAALDH1A1
SCHEMBL5094856 0.79 MAOA (0.53) TTRHPGDTDP1MAOALMNA
SCHEMBL490108 0.76 NPC1 (0.56) HPGDTDP1MAOALMNAMEN1
SCHEMBL13712773 0.75 MAOA (0.51) TTRHPGDMAOALMNAALDH1A1
SCHEMBL4517589 0.75 KDM4E (0.58) TTRHPGDTDP1LMNAMEN1

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 6 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
EP-1833825-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-19 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 2536/4885HPGD 860/4885TDP1 3925/4885

“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.