SCHEMBL5925355

SCHEMBL5925355

O=C1NCN(c2ccccc2)C12CCN(Cc1ccccc1COc1ccccc1)CC2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 10/20 0.69
▸ OPRM1 P35372 10/20 0.69
▸ OPRK1 P41145 10/20 0.69
▸ OPRD1 P41143 9/20 0.69
▸ DRD3 P35462 4/20 0.63
▸ SIGMAR1 Q99720 3/20 0.63
▸ DRD2 P14416 3/20 0.63
▸ ADRB1 P08588 2/20 0.63
▸ ADRA1D P25100 2/20 0.63
▸ ADRA1A P35348 2/20 0.63
▸ HRH1 P35367 2/20 0.63
▸ ADRA1B P35368 2/20 0.63
▸ SLC6A3 Q01959 2/20 0.63
▸ CACNA1F O60840 2/20 0.63
▸ CACNA1D Q01668 2/20 0.63
▸ CACNA1S Q13698 2/20 0.63
▸ CACNA1C Q13936 2/20 0.63
▸ CHRM2 P08172 1/20 0.63
▸ SLC6A2 P23975 1/20 0.63
▸ DRD4 P21917 3/20 0.59

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
SCHEMBL6571230 0.85 OPRL1 (0.69) OPRL1OPRM1OPRK1OPRD1DRD3
SCHEMBL5925340 0.84 OPRK1 (0.78) OPRL1OPRM1OPRK1OPRD1DRD3
SCHEMBL13913516 0.84 OPRM1 (0.67) OPRL1OPRM1OPRK1OPRD1DRD3
Hydrochloric Acid SCHEMBL5925304 0.84 OPRL1 (0.68) OPRL1OPRM1OPRK1OPRD1DRD3
SCHEMBL5248981 0.83 OPRL1 (0.70) OPRL1OPRM1OPRK1OPRD1DRD3
SCHEMBL10736433 0.82 OPRL1 (0.75) OPRL1OPRM1OPRK1OPRD1DRD3
SCHEMBL5248548 0.81 OPRL1 (0.73) OPRL1OPRM1OPRK1OPRD1DRD3
SCHEMBL5925337 0.80 OPRL1 (0.69) OPRL1OPRM1OPRK1OPRD1DRD3
SCHEMBL7757086 0.80 OPRL1 (0.72) OPRL1OPRM1OPRK1OPRD1DRD3
SCHEMBL7847623 0.80 OPRL1 (1.00) OPRL1OPRM1OPRK1OPRD1DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392687-B1 1,3,8-TRIAZASPIRO[4,5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS JANSSEN PHARMACEUTICALS INC (US) 2017-02-01 — — EP disclosed
EP-1392687-B1 1,3,8-TRIAZASPIRO[4,5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS JANSSEN PHARMACEUTICALS INC (US) 2017-02-01 — — EP disclosed
US-20060178390-A1 1,3,8-Triazaspiro[4,5]decan-4-one derivatives useful for the treatment of ORL-1 receptor mediated disorders JORDAN ALFONZO 2006-08-10 — — US disclosed
US-7053101-B2 1,3,8-triazaspiro[4,5]decan-4-one derivatives useful for the treatment of ORL-1 receptor mediated disorders JORDAN ALFONZO 2006-05-30 — — US disclosed
US-20050004154-A1 1,2,8-Triazaspiro{decan-4-one derivatives useful for the treatment of orl-1receptor mediated disorders JORDAN ALFONZO (US) 2005-01-06 — — US disclosed
US-6777421-B2 TREATING A CONDITION SELECTED FROM THE GROUP CONSISTING OF ANXIETY, DEPRESSION, SUBSTANCE ABUSE, NEUROPATHIC PAIN, ACUTE PAIN, MIGRAINE, ASTHMA, COUGH AND IMPROVED COGNITION, IN A SUBJECT IN NEED THEREOF COMPRISING ADMINISTERING A COMPOUND ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-08-17 — — US disclosed
EP-1392687-A1 1,3,8-TRIAZASPIRO[4,5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-03-03 — — EP disclosed
US-20030109539-A1 1,3,8-Triazaspiro[4.5]decan-4-one derivatives useful for the treatment of ORL-1 receptor mediated disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-06-12 — — US disclosed
WO-2002083673-A1 1,3,8-TRIAZASPIRO[4.5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-10-24 — — 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 (3 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-20050004154-A1 1,2,8-Triazaspiro{decan-4-one derivatives useful for the treatment of orl-1receptor mediated disorders OPRL1, CALCRL, OPRK1 OPRL1 1/4885OPRM1 10/4885OPRK1 3/4885
US-20060178390-A1 1,3,8-Triazaspiro[4,5]decan-4-one derivatives useful for the treatment of ORL-1 receptor mediated disorders OPRL1, OPRK1, CALCRL OPRL1 1/4885OPRM1 8/4885OPRK1 2/4885
US-20030109539-A1 1,3,8-Triazaspiro[4.5]decan-4-one derivatives useful for the treatment of ORL-1 receptor mediated disorders OPRL1, GPR4, GPR174 OPRL1 1/4885OPRM1 8/4885OPRK1 6/4885

“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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