SCHEMBL4508945

SCHEMBL4508945

CC(=O)Nc1ccccc1-c1ccc2c(c1)Oc1c(O)cccc1C2C1CC2CCC(C1)N2CCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.44
CHRNA7 P36544 3/20 0.37
OPRM1 P35372 6/20 0.35
OPRD1 P41143 6/20 0.35
OPRK1 P41145 1/20 0.35
KCNH2 Q12809 1/20 0.35
CHRM3 P20309 3/20 0.33
HRH3 Q9Y5N1 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
ADRB2 P07550 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
SCHEMBL4508984 0.92 SMN1; SMN2 (0.39) ALPLOPRM1OPRD1OPRK1KCNH2
SCHEMBL4526870 0.91 ALPL (0.47) ALPLCHRNA7OPRM1OPRD1OPRK1
SCHEMBL4509720 0.86 SMN1; SMN2 (0.33)
SCHEMBL4519581 0.85 CYP2D6 (0.43) ALPLOPRM1OPRD1OPRK1KCNH2
SCHEMBL4502744 0.84 OPRM1 (0.37) OPRM1OPRD1OPRK1KCNH2HRH3
SCHEMBL4510213 0.83 SMN1; SMN2 (0.41) ALPLOPRM1OPRD1OPRK1KCNH2
SCHEMBL4504326 0.83 PARP1 (0.33) HRH3
SCHEMBL5194701 0.81 SMN1; SMN2 (0.39) ALPLOPRM1OPRD1OPRK1KCNH2
SCHEMBL4512893 0.81 DHODH (0.34)
SCHEMBL5097024 0.80 CHRM1 (0.39) CHRM3

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 ALPL 2126/4885CHRNA7 78/4885OPRM1 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.