SCHEMBL2876441

SCHEMBL2876441

Cc1cc(C)c2nc(C3CC3)n(Cc3ccc(C4(C(=O)O)CCCC4)s3)c2n1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.38
AGTR2 P50052 1/20 0.37
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL243509 0.99 AGTR1 (0.38) AGTR1AGTR2NPC1RAB9ASMN1; SMN2
SCHEMBL245008 0.91 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL8707753 0.90 AGTR1 (0.37) AGTR1AGTR2MAPT
SCHEMBL8700740 0.90 AGTR1 (0.37) AGTR1AGTR2MAPT
SCHEMBL244556 0.89 AGTR1 (0.41) AGTR1AGTR2NPC1RAB9ASMN1; SMN2
SCHEMBL243505 0.84
SCHEMBL7471672 0.82 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL7425648 0.82 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL7413327 0.81 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL242856 0.79 AGTR1 (0.43) 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 12 patents. 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-20140142116-A1 Method of Treatment or Prophylaxis of Inflammatory Pain SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2014-05-22 US disclosed
US-8551950-B2 Method of treatment or prophylaxis of inflammatory pain SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2013-10-08 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-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
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 (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-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-20100292159-A1 METHOD OF TREATMENT OR PROPHYLAXIS OF INFLAMMATORY PAIN AGTR2, AGTR1, BDKRB2 AGTR1 2/4885AGTR2 1/4885NPC1 4122/4885

“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.