SCHEMBL4515040

SCHEMBL4515040

c1cncc(-c2ccc3c(c2)Oc2ccccc2C3C2CC3CCC(C2)N3Cc2ccoc2)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.34
▸ CCR3 P51677 1/20 0.34
▸ CYP11B1 P15538 3/20 0.34
▸ CYP11B2 P19099 3/20 0.34
▸ OPRM1 P35372 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ HCRTR1 O43613 2/20 0.33
▸ HCRTR2 O43614 2/20 0.33
▸ TNIK Q9UKE5 1/20 0.33
▸ GRM2 Q14416 1/20 0.32

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
SCHEMBL4519262 0.90 OPRK1 (0.33) CCR3OPRM1OPRK1KCNH2
SCHEMBL4508291 0.90 KCNH2 (0.37) CYP2D6CCR3CYP11B1CYP11B2OPRM1
SCHEMBL4510811 0.89 OPRM1 (0.33) CYP2D6CCR3CYP11B1CYP11B2OPRM1
SCHEMBL5103707 0.86 ACHE (0.38) CYP11B1CYP11B2TNIK
SCHEMBL4514952 0.84 OPRM1 (0.38) CYP2D6CCR3CYP11B1CYP11B2OPRM1
SCHEMBL4518047 0.83 CLK4 (0.37) CYP2D6CCR3CYP11B1CYP11B2OPRM1
SCHEMBL4508407 0.83 HRH3 (0.39) CYP11B1CYP11B2OPRM1OPRK1KCNH2
SCHEMBL4508609 0.82 ADRA2A (0.35) CYP2D6CCR3CYP11B1CYP11B2TNIK
SCHEMBL3167523 0.82 CYP11B1 (0.36) CYP2D6CCR3CYP11B1CYP11B2OPRM1
SCHEMBL13394903 0.82 CYP11B1 (0.36) CYP2D6CCR3CYP11B1CYP11B2OPRM1

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 10 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
EP-1833825-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-19 — — EP claimed
WO-2006069277-A1 TRICYCLIC δ-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 — — WO 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
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 CYP2D6 359/4885CCR3 1824/4885CYP11B1 426/4885

“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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