SCHEMBL4508609

SCHEMBL4508609

c1cncc(-c2ccc3c(c2)Oc2ccccc2C3C2CC3CCC(C2)N3Cc2ncc[nH]2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ CYP11B1 P15538 4/20 0.33
▸ CYP11B2 P19099 4/20 0.33
▸ HTR2B P41595 2/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ PARP1 P09874 1/20 0.31
▸ CCR5 P51681 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CCR3 P51677 1/20 0.31
▸ TNIK Q9UKE5 1/20 0.31
▸ AXL P30530 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ ATR Q13535 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ QPCT Q16769 1/20 0.30
▸ QPCTL Q9NXS2 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
SCHEMBL5094857 0.86 PARP1 (0.39) ADRA2AADRA1ACYP11B1CYP11B2HTR2B
SCHEMBL4508291 0.86 KCNH2 (0.37) CYP11B1CYP11B2CYP2D6CCR3TNIK
SCHEMBL4514952 0.85 OPRM1 (0.38) CYP11B1CYP11B2IRAK4CYP2D6CCR3
SCHEMBL4518047 0.83 CLK4 (0.37) CYP11B1CYP11B2CYP2D6CCR3TNIK
SCHEMBL4515040 0.82 CYP2D6 (0.34) CYP11B1CYP11B2CYP2D6CCR3TNIK
SCHEMBL5254908 0.81 HTR2B (0.36) HTR2BPARP1
SCHEMBL4508407 0.81 HRH3 (0.39) CYP11B1CYP11B2TNIK
SCHEMBL4509747 0.77 OPRD1 (0.41) PARP1
SCHEMBL4516385 0.77 CYP11B1 (0.41) CYP11B1CYP11B2AXL
SCHEMBL4508235 0.76 KCNH2 (0.36) CYP2D6CCR3TNIK

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 ADRA2A 14/4885ADRA1A 17/4885CYP11B1 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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