SCHEMBL4517596

SCHEMBL4517596

Oc1cccc2c1Oc1cc(-c3cccnc3)ccc1C2C1CC2CCC(C1)N2Cc1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ CYP11B1 P15538 3/20 0.32
▸ CYP11B2 P19099 3/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CCR3 P51677 1/20 0.32
▸ BRAF P15056 2/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.31
▸ RET P07949 3/20 0.31
▸ SRPK1 Q96SB4 1/20 0.30

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
SCHEMBL4514952 0.90 OPRM1 (0.38) OPRM1OPRK1KCNH2CYP11B1CYP11B2
SCHEMBL4508235 0.89 KCNH2 (0.36) OPRM1OPRK1KCNH2CYP2D6CCR3
SCHEMBL4521665 0.85 OPRM1 (0.36) OPRM1OPRK1KCNH2CYP11B1CYP11B2
SCHEMBL4510811 0.85 OPRM1 (0.33) OPRM1OPRK1KCNH2CYP11B1CYP11B2
SCHEMBL4519661 0.85 HRH3 (0.35) OPRM1OPRK1KCNH2CYP11B1CYP11B2
SCHEMBL3173482 0.82 OPRM1 (0.37) OPRM1OPRK1KCNH2CYP11B1CYP11B2
SCHEMBL13395065 0.82 OPRM1 (0.37) OPRM1OPRK1KCNH2CYP11B1CYP11B2
SCHEMBL4502744 0.81 OPRM1 (0.37) OPRM1OPRK1KCNH2
SCHEMBL4518555 0.80 OPRM1 (0.40) OPRM1OPRK1KCNH2RET
SCHEMBL4508291 0.79 KCNH2 (0.37) OPRM1OPRK1KCNH2CYP11B1CYP11B2

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 8 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
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 OPRM1 4/4885OPRK1 2/4885KCNH2 618/4885

“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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