SCHEMBL4514644

SCHEMBL4514644

O=c1[nH]c(-c2ccc3c(c2)Oc2ccccc2C3C2CC3CCC(C2)N3Cc2ccccn2)no1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ XDH P47989 2/20 0.34
▸ LMNA P02545 1/20 0.33
▸ DPP4 P27487 1/20 0.32
▸ DPP7 Q9UHL4 1/20 0.32
▸ PARP1 P09874 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL13711485 0.85 XDH (0.33) XDH
SCHEMBL4517423 0.83 OPRM1 (0.37) KCNH2OPRM1OPRK1LMNA
SCHEMBL4518555 0.83 OPRM1 (0.40) KCNH2OPRM1OPRK1LMNAPARP1
SCHEMBL3173357 0.83 OPRM1 (0.36) KCNH2OPRM1OPRK1XDHALDH1A1
SCHEMBL13394777 0.83 OPRM1 (0.36) KCNH2OPRM1OPRK1XDHALDH1A1
SCHEMBL4514952 0.80 OPRM1 (0.38) KCNH2OPRM1OPRK1LMNA
SCHEMBL13711483 0.79 PARP1 (0.36) KCNH2XDHDPP4DPP7PARP1
SCHEMBL4520693 0.77 OPRM1 (0.40) KCNH2OPRM1OPRK1
SCHEMBL4517190 0.77 PARP1 (0.38) KCNH2XDHDPP4DPP7PARP1
SCHEMBL5103268 0.75 PARP1 (0.40) KCNH2XDHDPP4DPP7PARP1

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 claimed
US-20060135524-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-22 — — US claimed
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 KCNH2 618/4885OPRM1 4/4885OPRK1 2/4885

“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.

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