SCHEMBL4514952

SCHEMBL4514952

c1ccc(CN2C3CCC2CC(C2c4ccccc4Oc4cc(-c5cccnc5)ccc42)C3)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ CYP11B1 P15538 5/20 0.35
▸ CYP11B2 P19099 5/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ HRH1 P35367 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ CYP2D6 P10635 1/20 0.32
▸ CCR3 P51677 1/20 0.32
▸ TNIK Q9UKE5 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ GABRA3 P34903 1/20 0.32
▸ GABRA2 P47869 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ RET P07949 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
SCHEMBL4517596 0.90 OPRM1 (0.37) OPRM1OPRK1KCNH2CYP11B1CYP11B2
SCHEMBL4518555 0.90 OPRM1 (0.40) OPRM1OPRK1KCNH2GRM5LMNA
SCHEMBL4508291 0.88 KCNH2 (0.37) OPRM1OPRK1KCNH2CYP11B1CYP11B2
SCHEMBL4508609 0.85 ADRA2A (0.35) CYP11B1CYP11B2IRAK4CYP2D6CCR3
SCHEMBL13711443 0.85 CYP11B1 (0.37) CYP11B1CYP11B2GRM5HRH1HTR6
SCHEMBL4518047 0.85 CLK4 (0.37) OPRM1OPRK1KCNH2CYP11B1CYP11B2
SCHEMBL4515040 0.84 CYP2D6 (0.34) OPRM1OPRK1KCNH2CYP11B1CYP11B2
SCHEMBL4508407 0.83 HRH3 (0.39) OPRM1OPRK1KCNH2CYP11B1CYP11B2
SCHEMBL4517423 0.82 OPRM1 (0.37) OPRM1OPRK1KCNH2LMNA
SCHEMBL13529090 0.81 CYP11B1 (0.38) 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
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
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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