SCHEMBL244556

SCHEMBL244556

Cc1cc(C)c2nc(C3CC3)n(Cc3ccc(C4(C(=O)O)Cc5ccccc5C4)s3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.41
AGTR2 P50052 1/20 0.41
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GPR4 P46093 1/20 0.35

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
SCHEMBL7413327 0.91 AGTR1 (0.39) AGTR1AGTR2GPR4
SCHEMBL2876441 0.89 AGTR1 (0.38) AGTR1AGTR2NPC1RAB9ASMN1; SMN2
SCHEMBL245008 0.89 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL243509 0.88 AGTR1 (0.38) AGTR1AGTR2NPC1RAB9ASMN1; SMN2
SCHEMBL8707753 0.81 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL8700740 0.80 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL7471672 0.80 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL7425648 0.80 AGTR1 (0.36) AGTR1AGTR2
Benzenesulfonamide SCHEMBL2884172 0.77 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL8700846 0.77 AGTR1 (0.40) 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 29 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-20110318329-A1 METHOD OF TREATMENT OR PROPHYLAXIS NOVARTIS AG (CH) 2011-12-29 US disclosed
CN-102049048-A Method of treatment or prophylaxis SPINIFEX PHARM PTY LTD 2011-05-11 CN 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
CN-101443001-A Methods of treating or preventing inflammatory pain UNIV QUEENSLAND (AU) 2009-05-27 CN disclosed
CN-101087619-A methods of treatment or prevention UNIV QUEENSLAND (AU) 2007-12-12 CN disclosed
US-20060223741-A1 Method of treatment or prophylaxis THE UNIVERSITY OF QUEENSLAND (AU) 2006-10-05 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 (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-20060223741-A1 Method of treatment or prophylaxis AGTR2, AGTR1, NTSR2 AGTR1 2/4885AGTR2 1/4885NPC1 2811/4885
US-20160052925-A1 METHOD OF TREATMENT OR PROPHYLAXIS INFTAMMATORY PAIN AGTR2, AGTR1, BDKRB2 AGTR1 2/4885AGTR2 1/4885NPC1 3993/4885
US-20140142116-A1 Method of Treatment or Prophylaxis of Inflammatory Pain AGTR2, AGTR1, BDKRB2 AGTR1 2/4885AGTR2 1/4885NPC1 4349/4885
US-20140228362-A1 Method of Treatment or Prophylaxis AGTR2, AGTR1, NTSR2 AGTR1 2/4885AGTR2 1/4885NPC1 2811/4885
US-20100292159-A1 METHOD OF TREATMENT OR PROPHYLAXIS OF INFLAMMATORY PAIN AGTR2, AGTR1, BDKRB2 AGTR1 2/4885AGTR2 1/4885NPC1 4122/4885
US-20110318329-A1 METHOD OF TREATMENT OR PROPHYLAXIS AGTR2, AGTR1, NTSR2 AGTR1 2/4885AGTR2 1/4885NPC1 2811/4885

“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.