SCHEMBL245599

SCHEMBL245599

CCCCc1nc2cccc(C)c2c(=O)n1Cc1ccc(C2(C(=O)O)CCCC2)nc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.45
PDE4B Q07343 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45
AGTR1 P30556 7/20 0.45
AGTR2 P50052 6/20 0.45
PDE3B Q13370 1/20 0.40
PDE3A Q14432 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
SCHEMBL7422046 0.91 AGTR1 (0.41) PDE4APDE4BPDE4CPDE4DAGTR1
SCHEMBL245600 0.84 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DAGTR1
SCHEMBL7421353 0.78 PPARG (0.43) PDE4APDE4BPDE4CPDE4DAGTR1
SCHEMBL28826515 0.77 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DAGTR1
SCHEMBL244242 0.75 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DAGTR1
SCHEMBL7424013 0.71 AGTR2 (0.46) AGTR1AGTR2
SCHEMBL7427913 0.69 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL243571 0.69
SCHEMBL7423304 0.68 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DAGTR1
SCHEMBL9434830 0.67 AGTR1 (0.66) AGTR1AGTR2

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995002596-A1 AZACYCLIC-HETEROCYCLIC COMPOUNDS AS ANGIOTENSIN II RECEPTOR ANTAGONISTS PFIZER INC. (US) 1995-01-26 WO claimed
CN-102861019-B The medicine for the treatment of or prevention neuropathic pain NOVARTIS AG (CH) 2016-05-25 CN disclosed
CN-102885818-B The method for the treatment of or prophylaxis inflammatory pain NOVARTIS AG (CH) 2016-05-04 CN disclosed
US-20160052925-A1 METHOD OF TREATMENT OR PROPHYLAXIS INFTAMMATORY PAIN NOVARTIS AG (CH) 2016-02-25 US disclosed
US-9227968-B2 Method of treatment or prophylaxis of inflammatory pain NOVARTIS AG (CH) 2016-01-05 US disclosed
US-9018207-B2 Method of treatment or prophylaxis SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2015-04-28 US disclosed
US-20140228362-A1 Method of Treatment or Prophylaxis SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2014-08-14 US disclosed
US-20140142116-A1 Method of Treatment or Prophylaxis of Inflammatory Pain SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2014-05-22 US disclosed
US-8722675-B2 Method of treatment or prophylaxis SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2014-05-13 US disclosed
CN-102049048-B Method of treatment or prophylaxis SPINIFEX PHARM PTY LTD 2013-12-25 CN disclosed
US-20090177267-A1 Medical devices and methods for local delivery of angiotensin II type 2 receptor antagonists WILMINGTON TRUST, NATIONAL ASSOCIATION, AS COLLATERAL AGENT 2009-07-09 US disclosed
CN-101443001-A Methods of treating or preventing inflammatory pain UNIV QUEENSLAND (AU) 2009-05-27 CN disclosed
EP-1996183-A1 METHOD OF TREATMENT OR PROPHYLAXIS INFLAMMATORY PAIN THE UNIVERSITY OF QUEENSLAND (AU) 2008-12-03 EP disclosed
CN-101087619-A methods of treatment or prevention UNIV QUEENSLAND (AU) 2007-12-12 CN disclosed
WO-2007106938-A1 METHOD OF TREATMENT OR PROPHYLAXIS INFLAMMATORY PAIN THE UNIVERSITY OF QUEENSLAND (AU) 2007-09-27 WO disclosed
EP-1830869-A1 METHOD OF TREATMENT OR PROPHYLAXIS THE UNIVERSITY OF QUEENSLAND (AU) 2007-09-12 EP disclosed
US-20060223741-A1 Method of treatment or prophylaxis THE UNIVERSITY OF QUEENSLAND (AU) 2006-10-05 US disclosed
WO-2006066361-A1 METHOD OF TREATMENT OR PROPHYLAXIS THE UNIVERSITY OF QUEENSLAND (AU) 2006-06-29 WO disclosed
US-5789415-A Azacyclic-heterocyclic compounds as angiotension II receptor antagonists PFIZER INC. (US) 1998-08-04 US disclosed
WO-1995002596-A1 AZACYCLIC-HETEROCYCLIC COMPOUNDS AS ANGIOTENSIN II RECEPTOR ANTAGONISTS PFIZER INC. (US) 1995-01-26 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 (4 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-20060223741-A1 Method of treatment or prophylaxis AGTR2, AGTR1, NTSR2 PDE4A 1314/4885PDE4B 1324/4885PDE4C 2043/4885
US-20160052925-A1 METHOD OF TREATMENT OR PROPHYLAXIS INFTAMMATORY PAIN AGTR2, AGTR1, BDKRB2 PDE4A 2062/4885PDE4B 2250/4885PDE4C 2786/4885
US-20140142116-A1 Method of Treatment or Prophylaxis of Inflammatory Pain AGTR2, AGTR1, BDKRB2 PDE4A 2036/4885PDE4B 2254/4885PDE4C 3317/4885
US-20140228362-A1 Method of Treatment or Prophylaxis AGTR2, AGTR1, NTSR2 PDE4A 1314/4885PDE4B 1324/4885PDE4C 2043/4885

“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.