SCHEMBL4508235

SCHEMBL4508235

Oc1cccc2c1Oc1cc(-c3cccnc3)ccc1C2C1CC2CCC(C1)N2Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 4/20 0.36
▸ OPRK1 P41145 3/20 0.36
▸ OPRM1 P35372 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CCR3 P51677 1/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ WNT1 P04628 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ TNIK Q9UKE5 1/20 0.34
▸ DHPS P49366 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ACHE P22303 2/20 0.34
▸ GSK3B P49841 1/20 0.34

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
SCHEMBL4519661 0.92 HRH3 (0.35) KCNH2OPRK1OPRM1GRIN2BGSK3B
SCHEMBL4510811 0.90 OPRM1 (0.33) KCNH2OPRK1OPRM1CYP2D6CCR3
SCHEMBL4508291 0.89 KCNH2 (0.37) KCNH2OPRK1OPRM1CYP2D6CCR3
SCHEMBL4517596 0.89 OPRM1 (0.37) KCNH2OPRK1OPRM1CYP2D6CCR3
SCHEMBL4521665 0.88 OPRM1 (0.36) KCNH2OPRK1OPRM1CYP2D6ALDH1A1
SCHEMBL5094777 0.86 ACHE (0.44) S1PR1WNT1DYRK1AACHEGSK3B
SCHEMBL4508407 0.81 HRH3 (0.39) KCNH2OPRK1OPRM1GRIN2BTNIK
SCHEMBL4515040 0.80 CYP2D6 (0.34) KCNH2OPRK1OPRM1CYP2D6CCR3
SCHEMBL4511841 0.80 CYP11B1 (0.38) GSK3B
SCHEMBL4502719 0.79 CHRNB2 (0.38) KCNH2OPRK1OPRM1

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 KCNH2 618/4885OPRK1 2/4885OPRM1 4/4885

“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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