SCHEMBL4552878

SCHEMBL4552878

c1ccc(C2(OC3(c4ccccc4)N=NN=N3)N=NN=N2)cc1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.32
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 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
SCHEMBL987891 0.79
SCHEMBL9751463 0.73 ALDH1A1 (0.36)
SCHEMBL1702595 0.73 MAOA (0.31)
SCHEMBL5168618 0.72 OPRM1 (0.31) OPRM1OPRK1OPRL1
SCHEMBL5274311 0.70 OPRM1 (0.33) OPRM1OPRK1OPRL1
Bromide SCHEMBL29801969 0.69 OPRM1 (0.32) OPRM1OPRK1OPRL1
SCHEMBL5274478 0.67 ALDH1A1 (0.31) OPRM1OPRK1OPRL1
SCHEMBL5280804 0.67 MAOB (0.39)
SCHEMBL7551055 0.67 PNMT (0.39)
SCHEMBL5276695 0.67 ALDH1A1 (0.38) OPRM1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0759922-A1 NEW ANTAGONIST COMPOUNDS Astra Aktiebolag (SE) 1997-03-05 EP claimed
WO-1995031463-A1 NEW ANTAGONIST COMPOUNDS ASTRA AKTIEBOLAG (SE) 1995-11-23 WO claimed
EP-1755604-B1 USE OF OPIOID RECEPTOR ANTAGONIST COMPOUNDS FOR THE PREVENTION AND/OR TREATMENT OF DISEASES ASSOCIATED WITH THE TARGET CALCINEURIN ALCASYNN PHARMACEUTICALS GMBH (AT) 2009-10-14 EP disclosed
CN-100368414-C Morphinan derivatives, their quaternary ammonium salts substituted at position 14, process for their preparation and their use HELMUT SCHMIDHAMMER (AT) 2008-02-13 CN disclosed
US-20070167474-A1 Use of opioid receptor antagonist compounds for the prevention and/or treatment of diseases associated with the target calcineurin CHIRONWELLS GMBH (AT) 2007-07-19 US disclosed
EP-1755604-A2 USE OF OPIOID RECEPTOR ANTAGONIST COMPOUNDS FOR THE PREVENTION AND/OR TREATMENT OF DISEASES ASSOCIATED WITH THE TARGET CALCINEURIN ALCASYNN PHARMACEUTICALS GMBH (AT) 2007-02-28 EP disclosed
WO-2005107752-A2 USE OF OPIOID RECEPTOR ANTAGONIST COMPOUNDS FOR THE PREVENTION AND/OR TREATMENT OF DISEASES ASSOCIATED WITH THE TARGET CALCINEURIN ALCASYNN PHARMACEUTICALS GMBH (AT) 2005-11-17 WO disclosed
EP-1595541-A1 Use of opioid receptor antagonist compounds for the prevention and/or treatment of diseases associated with the target calcineurin ALCASYNN PHARMACEUTICALS GMBH (AT) 2005-11-16 EP disclosed
CN-1665819-A Morphinan derivatives the quaternary ammonium salts thereof substituted in position 14, method for production and use thereof HELMUT SCHMIDHAMMER (AT) 2005-09-07 CN disclosed
US-6136817-A Opioid receptor antagonist compounds ASTRA AB (SE) 2000-10-24 US disclosed
US-5886001-A Agonist compounds ASTRA AB (SE) 1999-03-23 US disclosed
EP-0759923-A1 NEW AGONIST COMPOUNDS Astra Aktiebolag (SE) 1997-03-05 EP disclosed
EP-0759922-A1 NEW ANTAGONIST COMPOUNDS Astra Aktiebolag (SE) 1997-03-05 EP disclosed
WO-1995031463-A1 NEW ANTAGONIST COMPOUNDS ASTRA AKTIEBOLAG (SE) 1995-11-23 WO disclosed
WO-1995031464-A1 NEW AGONIST COMPOUNDS ASTRA AKTIEBOLAG (SE) 1995-11-23 WO disclosed
US-4390699-A NARCOTIC ANTAGONIST THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1983-06-28 US disclosed
US-4388463-A 6-Keto-morphinan analgesics THE UNITED STATES OF AMERICA AS REPRESENTED BY SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1983-06-14 US disclosed
US-4012435-A (5,8-DIHYDRO-5,8-ENDOMETHYLENE-1-NAPHTHYL)- CARBAMATES; PESTICIDES CIBA-GEIGY AG (CH) 1977-03-15 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-20070167474-A1 Use of opioid receptor antagonist compounds for the prevention and/or treatment of diseases associated with the target calcineurin PPP3R1, OPRK1, OPRM1 VNN1 2640/4885OPRM1 3/4885OPRK1 2/4885

“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.