SCHEMBL244086

SCHEMBL244086

CCCc1nc2c(C)cc(C)nc2n1Cc1ccc(C2(C(=O)O)CC=CC2)s1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL243974 0.93
SCHEMBL7422043 0.90 AGTR1 (0.40)
SCHEMBL245008 0.84 AGTR1 (0.38)
SCHEMBL244087 0.83 GPR4 (0.41)
SCHEMBL2884118 0.83
SCHEMBL243505 0.83
SCHEMBL243577 0.77 AGTR2 (0.37)
SCHEMBL244553 0.77 AGTR1 (0.42)
SCHEMBL7471672 0.76 AGTR1 (0.37)
SCHEMBL243975 0.75 GPR4 (0.42)

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 23 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
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
US-20130296350-A1 Method of Treatment or Prophylaxis NOVARTIS AG (CH) 2013-11-07 US disclosed
US-8551950-B2 Method of treatment or prophylaxis of inflammatory pain SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2013-10-08 US disclosed
US-8492382-B2 Method of treatment or prophylaxis SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2013-07-23 US disclosed
US-20100292159-A1 METHOD OF TREATMENT OR PROPHYLAXIS OF INFLAMMATORY PAIN UNIVERSITY OF QUEENSLAND (AU) 2010-11-18 US disclosed
US-7828840-B2 Medical devices and methods for local delivery of angiotensin II type 2 receptor antagonists MED INSTITUTE, INC. (US) 2010-11-09 US disclosed
US-7795275-B2 Method of treatment or prophylaxis UNIQUEST PTY LIMITED (AU) 2010-09-14 US 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
EP-1996183-A1 METHOD OF TREATMENT OR PROPHYLAXIS INFLAMMATORY PAIN THE UNIVERSITY OF QUEENSLAND (AU) 2008-12-03 EP 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
WO-1995002596-A1 AZACYCLIC-HETEROCYCLIC COMPOUNDS AS ANGIOTENSIN II RECEPTOR ANTAGONISTS PFIZER INC. (US) 1995-01-26 WO disclosed