SCHEMBL974631

SCHEMBL974631

CCCCCN1CCNC(=O)C1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
THRB P10828 15/20 0.51
GNAI3 P08754 3/20 0.42
GNAO1 P09471 3/20 0.42
GNAI1 P63096 3/20 0.42
ALOX5 P09917 2/20 0.42

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
SCHEMBL18634073 0.98 THRB (0.53) THRBGNAI3GNAO1GNAI1ALOX5
SCHEMBL9029619 0.95 THRB (0.49) THRB
Hydrochloric Acid SCHEMBL9029064 0.93 THRB (0.48) THRBGNAI3GNAO1GNAI1
Propene SCHEMBL4084262 0.92 THRB (0.47) THRBGNAI3GNAO1GNAI1ALOX5
SCHEMBL257071 0.87 THRB (0.45) THRB
SCHEMBL5704250 0.84 THRB (0.42) THRBALOX5
SCHEMBL13178226 0.84 ALOX5 (0.45) THRBGNAI3GNAO1GNAI1ALOX5
SCHEMBL30902677 0.81 CXCR4 (0.50) THRB
SCHEMBL30902672 0.81 CXCR4 (0.50) THRB
SCHEMBL4490796 0.81 SMN1; SMN2 (0.39) THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680270-B2 Metallo-oxidoreductase inhibitors using metal binding moieties in combination with targeting moieties VIAMET PHARMACEUTICALS, INC. (US) 2014-03-25 US disclosed
EP-2086546-B1 METALLO-OXIDOREDUCTASE INHIBITORS USING METAL BINDING MOIETIES IN COMBINATION WITH TARGETING MOIETIES VIAMET PHARMACEUTICALS INC (US) 2013-07-10 EP disclosed
EP-2543368-A1 Metalloenzyme inhibitors using metal binding moieties in combination with targeting moieties Viamet Pharmaceuticals, Inc. (US) 2013-01-09 EP disclosed
US-20110015158-A1 METALLOENZYME INHIBITORS USING METAL BINDING MOIETIES IN COMBINATION WITH TARGETING MOIETIES VIAMET PHARMACEUTICALS, INC. (US) 2011-01-20 US disclosed
US-20100311749-A1 4-BENZOYL-1-SUBSTITUTED-PIPERAZIN-2-ONE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2010-12-09 US disclosed
US-20100305078-A1 METALLO-OXIDOREDUCTASE INHIBITORS USING METAL BINDING MOIETIES IN COMBINATION WITH TARGETING MOIETIES VIAMET PHARMACEUTICALS, INC. (US) 2010-12-02 US disclosed
US-20100256082-A1 Metallo-hydrolase inhibitors using metal binding moietes in combination with targeting moieties VIAMET PHARMACEUTICALS, INC. (US) 2010-10-07 US disclosed
EP-2234608-A2 METALLOENZYME INHIBITORS USING METAL BINDING MOIETIES IN COMBINATION WITH TARGETING MOIETIES Viamet Pharmaceuticals, Inc. (US) 2010-10-06 EP disclosed
EP-2212300-A1 4-BENZ0YL-1-SUBSTITUTED-PIPERAZIN-2-0NE DERIVATIVES AS P2X7 MODULATORS Glaxo Group Limited (GB) 2010-08-04 EP disclosed
US-7632833-B2 Anticancer agents MERCK & CO., INC. (US) 2009-12-15 US disclosed
WO-2008064311-A2 METALLO-OXIDOREDUCTASE INHIBITORS USING METAL BINDING MOIETIES IN COMBINATION WITH TARGETING MOIETIES VIAMET PHARMACEUTICALS, INC. (US) 2008-05-29 WO disclosed
WO-2008036445-A2 METALLO-HYDROLASE INHIBITORS USING METAL BINDING MOIETIES IN COMBINATION WITH TARGETING MOIETIES VIAMET PHARMACEUTICALS, INC. (US) 2008-03-27 WO disclosed
US-20050113514-A1 4-N-acyl-delta 5-2-oxopiperazines, a process for its preparation and combinatorial libraries thereof CHENG JIE F (US) 2005-05-26 US disclosed
EP-0924248-B1 Stabilization of polycarbonate/ABS blends with mixtures of hindered amines and UV absorbers CIBA SC HOLDING AG (CH) 2004-04-28 EP disclosed
US-5990208-A BLEND OF POLYCARBONATE AND POLYESTERS, STYRENIC COPOLYMERS, RUBBERS OR VINYL CHLORIDE CO- OR HOMOPOLYMERS, 1,3,5-TRIS(N-CYCLOHEXYL-N-(2-(3,3,4,5,5-PENTAMETHYLPIPERAZINE-2-ON-1-YL)-ET HYL)AMINO-S-TRIAZINE AND UV ABSORBER; AUTOMOBILES CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-11-23 US disclosed
EP-0924248-A1 Stabilization of polycarbonate/ABS blends with mixtures of hindered amines and UV absorbers Ciba SC Holding AG (CH) 1999-06-23 EP disclosed
US-4753979-A SUBSTITUTED 4-ACYL-2-PIPERAZINONES; FOR POLYOLEFINS OR ACRYLIC OR ALKYD RESINS CIBA-GEIGY CORPORATION (US) 1988-06-28 US disclosed
US-4753979-A SUBSTITUTED 4-ACYL-2-PIPERAZINONES; FOR POLYOLEFINS OR ACRYLIC OR ALKYD RESINS CIBA-GEIGY CORPORATION (US) 1988-06-28 US disclosed
US-4650870-A AUTOMOBILE PAINTS CIBA-GEIGY CORPORATION (US) 1987-03-17 US disclosed
US-4650870-A AUTOMOBILE PAINTS CIBA-GEIGY CORPORATION (US) 1987-03-17 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 (4 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-20110015158-A1 METALLOENZYME INHIBITORS USING METAL BINDING MOIETIES IN COMBINATION WITH TARGETING MOIETIES GAA, GBA3, HMBS THRB 2497/4885GNAI3 2660/4885GNAO1 2649/4885
US-20100256082-A1 Metallo-hydrolase inhibitors using metal binding moietes in combination with targeting moieties MMEL1, MPI, METAP1 THRB 2891/4885GNAI3 3486/4885GNAO1 2985/4885
US-20100305078-A1 METALLO-OXIDOREDUCTASE INHIBITORS USING METAL BINDING MOIETIES IN COMBINATION WITH TARGETING MOIETIES NQO1, SOD1, MDH2 THRB 3167/4885GNAI3 2727/4885GNAO1 1801/4885
US-20100311749-A1 4-BENZOYL-1-SUBSTITUTED-PIPERAZIN-2-ONE DERIVATIVES AS P2X7 MODULATORS P2RX7, P2RX3, P2RX2 THRB 1385/4885GNAI3 1925/4885GNAO1 1367/4885

“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.