SCHEMBL10295475

SCHEMBL10295475

CN1[C@@H]2CC[C@H]1C[C@@H](c1cccc(O)c1)C2

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 11/20 0.64
▸ OPRD1 P41143 11/20 0.64
▸ DRD2 P14416 2/20 0.54
▸ DRD3 P35462 1/20 0.52

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
SCHEMBL12314083 1.00 OPRM1 (0.64) OPRM1OPRD1DRD2DRD3
SCHEMBL4669800 0.80 SLC18A3 (0.51) OPRM1OPRD1DRD2DRD3
SCHEMBL8535132 0.80 OPRM1 (0.44) OPRM1OPRD1
SCHEMBL3207676 0.79 OPRM1 (0.62) OPRM1OPRD1
SCHEMBL3207686 0.79 OPRM1 (0.62) OPRM1OPRD1
SCHEMBL1721954 0.78 SLC6A2 (0.55) OPRM1OPRD1DRD2DRD3
SCHEMBL633352 0.78 SLC6A2 (0.55) OPRM1OPRD1DRD2DRD3
SCHEMBL633351 0.78 SLC6A2 (0.55) OPRM1OPRD1DRD2DRD3
SCHEMBL10295474 0.76 DRD3 (0.58) DRD2DRD3
SCHEMBL12314095 0.76 DRD3 (0.58) DRD2DRD3

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518966-B2 Amidoalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE, INC. (US) 2013-08-27 — — US disclosed
US-8268863-B2 Disubstituted alkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE, INC. (US) 2012-09-18 — — US disclosed
US-8211894-B2 Heteroarylalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE, INC. (US) 2012-07-03 — — US disclosed
US-20110144152-A1 DISUBSTITUTED ALKYL-8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2011-06-16 — — US disclosed
US-20110124677-A1 AMIDOALKYL-8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2011-05-26 — — US disclosed
US-7947710-B2 Disubstituted alkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE, INC. (US) 2011-05-24 — — US disclosed
US-7902221-B2 Amidoalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE, INC. (US) 2011-03-08 — — US disclosed
US-20100152199-A1 HETEROARYLALKYL-8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2010-06-17 — — US disclosed
US-7691878-B2 Heteroarylalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE, INC. (US) 2010-04-06 — — US disclosed
US-20090062335-A1 Amidoalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE, INC. 2009-03-05 — — US disclosed
US-20090062334-A1 Heteroarylalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE, INC. 2009-03-05 — — US disclosed
US-20090062332-A1 Disubstituted alkyl-8-azabicyclo[3.2.1] octane compounds as mu opioid receptor antagonists THERAVANCE, INC 2009-03-05 — — US disclosed
WO-2009029252-A1 AMIDOALKYL-8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2009-03-05 — — WO 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 (6 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-20090062332-A1 Disubstituted alkyl-8-azabicyclo[3.2.1] octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 OPRM1 1/4885OPRD1 2/4885DRD2 100/4885
US-20110124677-A1 AMIDOALKYL-8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRL1, OPRK1 OPRM1 1/4885OPRD1 4/4885DRD2 156/4885
US-20110144152-A1 DISUBSTITUTED ALKYL-8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 OPRM1 1/4885OPRD1 2/4885DRD2 100/4885
US-20100152199-A1 HETEROARYLALKYL-8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 OPRM1 1/4885OPRD1 2/4885DRD2 117/4885
US-20090062335-A1 Amidoalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRL1, OPRK1 OPRM1 1/4885OPRD1 4/4885DRD2 154/4885
US-20090062334-A1 Heteroarylalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 OPRM1 1/4885OPRD1 2/4885DRD2 117/4885

“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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