SCHEMBL461335

SCHEMBL461335

COc1ccc2c(c1OCc1ccccc1)CC(C(=O)O)NC2C(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 19/20 0.54
AGTR1 P30556 2/20 0.54

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
SCHEMBL433767 0.74 AGTR2 (0.56) AGTR2AGTR1
SCHEMBL421422 0.74 AGTR2 (0.56) AGTR2AGTR1
Hydrochloric Acid SCHEMBL23780714 0.74 AGTR2 (0.55) AGTR2AGTR1
Hydrochloric Acid SCHEMBL23780713 0.74 AGTR2 (0.55) AGTR2AGTR1
Olodanrigan SCHEMBL29394365 0.70 AGTR2 (1.00) AGTR2AGTR1
Olodanrigan SCHEMBL8964136 0.70 AGTR2 (1.00) AGTR2AGTR1
Olodanrigan SCHEMBL244657 0.70 AGTR2 (1.00) AGTR2AGTR1
Olodanrigan SCHEMBL421411 0.70 AGTR2 (1.00) AGTR2AGTR1
SCHEMBL10073578 0.69 AGTR2 (0.81) AGTR2AGTR1
SCHEMBL21602377 0.69 AGTR2 (0.52) AGTR2AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595960-A1 SALT AND SOLVATES OF A TETRAHYDROISOQUINOLINE DERIVATIVE Spinifex Pharmaceuticals Pty Ltd (AU) 2013-05-29 EP claimed
WO-2012010843-A1 SALT AND SOLVATES OF A TETRAHYDROISOQUINOLINE DERIVATIVE SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2012-01-26 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
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-5246943-A Substituted 1,2,3,4-tetahydroisoquinolines with angiotensin II receptor antagonist properties WARNER-LAMBERT COMPANY (US) 1993-09-21 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 (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 AGTR2 1/4885AGTR1 2/4885
US-20140142116-A1 Method of Treatment or Prophylaxis of Inflammatory Pain AGTR2, AGTR1, BDKRB2 AGTR2 1/4885AGTR1 2/4885
US-20100292159-A1 METHOD OF TREATMENT OR PROPHYLAXIS OF INFLAMMATORY PAIN AGTR2, AGTR1, BDKRB2 AGTR2 1/4885AGTR1 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.