SCHEMBL1416615

SCHEMBL1416615

CN(C)C(=O)Nc1cc[c]cc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
APEX1 P27695 1/20 0.50
TP53 P04637 1/20 0.45

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
SCHEMBL687878 0.84 TSHR (0.79) TSHRCA12CA1CA2CA9
SCHEMBL10344583 0.81 MEN1 (0.65) TSHRCA12CA1CA2CA9
SCHEMBL3765651 0.79 TSHR (0.40) TSHRCA12CA1CA2CA9
SCHEMBL1451581 0.79 POLB (0.55) TSHRCA12CA1CA2CA9
SCHEMBL1419142 0.79 TSHR (0.50) TSHRAPEX1TP53
Fenuron SCHEMBL8366971 0.78 TSHR (0.64) TSHRCA12CA1CA2CA9
Fenuron SCHEMBL10806698 0.78 TSHR (0.64) TSHRCA12CA1CA2CA9
Fenuron SCHEMBL62004 0.78 TSHR (0.64) TSHRCA12CA1CA2CA9
Fenuron SCHEMBL9451054 0.78 TSHR (0.64) TSHRCA12CA1CA2CA9
SCHEMBL3758922 0.78 NPY5R (0.43) TSHRCA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008518889-A 2008-06-05 JP claimed
US-7291642-B2 Bradykinin-B1 antagonists, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-06 US claimed
EP-1812405-A1 NOVEL BRADYKININ B1 ANTAGONISTS, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-01 EP claimed
US-20060100219-A1 Novel bradykinin-B1 antagonists, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-11 US claimed
WO-2006048209-A1 NOVEL BRADYKININ B1 ANTAGONISTS, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-11 WO claimed
EP-2165830-B1 Lithographic printing plate precursor and printing method using the same FUJIFILM CORP (JP) 2011-03-16 EP disclosed
US-20100071574-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND PRINTING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2010-03-25 US disclosed
EP-2165830-A1 Lithographic printing plate precursor and printing method using the same Fujifilm Corporation (JP) 2010-03-24 EP disclosed
US-7291642-B2 Bradykinin-B1 antagonists, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-06 US disclosed
US-20070208021-A1 Phenoxyacetic Acid Derivatives and Drug Comprising The Same DAIICHI PHARMACEUTICAL CO., LTD. 2007-09-06 US disclosed
EP-1812405-A1 NOVEL BRADYKININ B1 ANTAGONISTS, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-01 EP disclosed
US-7164024-B2 Muscarinic acetylcholine receptor antagonist; Parkinson's disease; dystonia; analgesics; irritable bowel syndrome BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-01-16 US disclosed
EP-0196617-A1 [4.2.0]bicyclooctane derivatives, process for their preparation and pharmaceutical compositions containing same SYNTEX (U.S.A.) INC. (US) 1986-10-08 EP disclosed
EP-0192111-A1 Iso-ureas, processes for their production and their use as herbicides BASF Aktiengesellschaft (DE) 1986-08-27 EP disclosed
US-4608388-A Novel [4,2,0]bicyclooctane derivatives with valuable therapeutic properties SYNTEX (U.S.A.) INC. (US) 1986-08-26 US disclosed
EP-0075117-B1 2H-1,2,4,6-THIATRIAZINE-1,1-DIOXIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES BASF Aktiengesellschaft (DE) 1985-03-13 EP disclosed
US-4428766-A 2N-1,2,4,6,Thiatriazine-1,1-dioxides and their use for controlling undesirable plant growth BASF AKTIENGESELLSCHAFT (DE) 1984-01-31 US disclosed
EP-0075117-A2 2H-1,2,4,6-thiatriazine-1,1-dioxides, process for their preparation and their use as herbicides BASF Aktiengesellschaft (DE) 1983-03-30 EP disclosed
US-4139623-A HYPOTENSIVE AGENTS C-G CORP. (US) 1979-02-13 US disclosed
US-4027027-A BETA-RECEPTOR-BLOCKERS, HYPOTENSIVES AND VALODILATORS; FOR TREATING ARRYTHMIAS AND ANGINA PECTORIS CIBA-GEIGY CORPORATION (US) 1977-05-31 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 (2 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-20060100219-A1 Novel bradykinin-B1 antagonists, process for their preparation and their use as medicaments BDKRB1, BDKRB2, MRGPRX1 TSHR 1943/4885CA12 3508/4885CA1 2236/4885
US-20070208021-A1 Phenoxyacetic Acid Derivatives and Drug Comprising The Same PPARA, PPARG, PPARD TSHR 176/4885CA12 4450/4885CA1 3953/4885

“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.