SCHEMBL696561

SCHEMBL696561

FC(F)(F)C1CCCC[N]1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40

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
SCHEMBL4749093 1.00 NOS3 (0.40) NOS3NOS1NOS2
SCHEMBL4752753 1.00 NOS3 (0.40) NOS3NOS1NOS2
SCHEMBL1030009 0.92
SCHEMBL1031442 0.92
SCHEMBL522365 0.92
SCHEMBL3505973 0.77
SCHEMBL1547508 0.74
SCHEMBL4857609 0.72
SCHEMBL2266095 0.70
SCHEMBL6050455 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 EP claimed
US-20130224195-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE COSTALES ABRAN (US) 2013-08-29 US claimed
US-8415382-B2 Substituted benzazoles and methods of their use as inhibitors of RAF Kinase NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2013-04-09 US claimed
US-8163793-B2 Proline derivatives HOFFMAN-LA ROCHE INC. (US) 2012-04-24 US claimed
EP-2421826-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-29 EP claimed
WO-2010121918-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO claimed
US-20100267722-A1 NOVEL PROLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-21 US claimed
EP-2182935-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. Hoffmann-Roche AG (CH) 2010-05-12 EP claimed
JP-4338974-B2 2009-10-07 JP claimed
EP-1682126-B1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-07-01 EP claimed
EP-1358161-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Amgen Inc. (US) 2003-11-05 EP claimed
WO-2002068406-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS AMGEN INC. (US) 2002-09-06 WO claimed
WO-2002055501-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMGEN INC (US) 2002-07-18 WO claimed
JP-2000511886-A 2000-09-12 JP claimed
US-5716904-A FOR BROARD LEAF WEEDS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-10 US claimed
WO-1997042155-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 1997-11-13 WO claimed
WO-1997041849-A1 ANTI-VIRAL METHOD ELI LILLY AND COMPANY (US) 1997-11-13 WO claimed
WO-1997041861-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 1997-11-13 WO claimed
WO-1997041860-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 1997-11-13 WO claimed
EP-0764641-A1 NOVEL 4,5-DISUBSTITUTED PYRIMIDINE DERIVATIVE AND HERBICIDE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-03-26 EP claimed

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-20100267722-A1 NOVEL PROLINE DERIVATIVES PRAP1, PRR12, SLC6A7 NOS3 1623/4885NOS1 984/4885NOS2 997/4885
US-20130224195-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF NOS3 3301/4885NOS1 4126/4885NOS2 4127/4885

“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.