SCHEMBL4505259

SCHEMBL4505259

CCN(CC)C(=O)c1ccc2c(c1)Oc1ccccc1C2C1CC2CCC(C1)N2Cc1ccco1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
PKM P14618 1/20 0.42
POLB P06746 1/20 0.42
OPRM1 P35372 3/20 0.41
OPRD1 P41143 3/20 0.41
OPRK1 P41145 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4518648 0.88 OPRD1 (0.47) OPRM1OPRD1OPRK1
SCHEMBL5197378 0.86 OPRM1 (0.42) OPRM1OPRD1OPRK1
SCHEMBL4517833 0.85 OPRM1 (0.46) OPRM1OPRD1OPRK1SMN1; SMN2MEN1
SCHEMBL4502257 0.85 OPRM1 (0.47) OPRM1OPRD1MEN1KMT2A
SCHEMBL4519685 0.84 OPRM1 (0.43) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL13712769 0.84 OPRM1 (0.40) OPRM1OPRD1MEN1KMT2A
SCHEMBL4508136 0.83 OPRM1 (0.54) OPRM1OPRD1
SCHEMBL13712692 0.83 OPRD1 (0.38) OPRM1OPRD1MEN1CYP2D6KMT2A
SCHEMBL13712737 0.83 OPRM1 (0.38) OPRM1OPRD1MEN1KMT2A
SCHEMBL4509747 0.82 OPRD1 (0.41) OPRM1OPRD1OPRK1MEN1KMT2A

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 5 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-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 GAA 2394/4885PKM 1539/4885POLB 2329/4885

“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.