SCHEMBL1913006

SCHEMBL1913006

Cc1cncc(CC(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP2D6 P10635 1/20 0.35
HRH1 P35367 1/20 0.35
ESR1 P03372 1/20 0.33
RORC P51449 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR3 Q9UBY5 1/20 0.32

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
SCHEMBL2718827 0.86 NOS3 (0.42) NOS3NOS1NOS2KDM4EUSP2
SCHEMBL30665036 0.82 CYP2D6 (0.33) NOS2CYP2D6HRH1
SCHEMBL19180782 0.79 NOS2 (0.44) NOS3NOS1NOS2CYP2D6HRH1
SCHEMBL18647958 0.79 NOS3 (0.31) NOS3NOS1NOS2
SCHEMBL18559674 0.77 NOS3 (0.36) NOS3NOS1NOS2KDM4EUSP2
SCHEMBL28062305 0.77 NOS2 (0.53) NOS3NOS1NOS2KDM4EUSP2
SCHEMBL10462728 0.77 KDM4E (0.36) NOS3NOS1NOS2KDM4EUSP2
SCHEMBL19510964 0.77 CDK2 (0.40) NOS3NOS1NOS2KDM4EUSP2
SCHEMBL10834770 0.77 CYP2D6 (0.38) NOS3NOS1NOS2CYP2D6HRH1
SCHEMBL28545174 0.75 CYP2D6 (0.32) CYP2D6HRH1

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-11246949-B2 Imaging contrast agents and uses thereof THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-02-15 US disclosed
WO-2021162747-A1 ETHYLENE-ALPHA-OLEFIN-DIENE MONOMER COPOLYMERS OBTAINED USING TRANSITION METAL BIS(PHENOLATE) CATALYST COMPLEXES AND HOMOGENEOUS PROCESS FOR PRODUCTION THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2021-08-19 WO disclosed
US-20210087147-A1 SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME NodThera Limited (GB) 2021-03-25 US disclosed
US-20180132503-A1 PROCESS FOR PRODUCING A LIQUID EXTRACT, PROCESS FOR PRODUCING COFFEE WITH REDUCED BITTERNESS, PROCESS FOR PRODUCING TEA, AND PROCESS FOR PRODUCING A LIQUID EXTRACT WHICH INCLUDES PYRAZINES THE COCA-COLA COMPANY 2018-05-17 US disclosed
EP-3297450-A1 PROCESS FOR PRODUCING A LIQUID EXTRACT, PROCESS FOR PRODUCING COFFEE WITH REDUCED BITTERNESS, PROCESS FOR PRODUCING TEA, AND PROCESS FOR PRODUCING A LIQUID EXTRACT WHICH INCLUDE PYRAZINES The Coca-Cola Company (US) 2018-03-28 EP disclosed
WO-2016186686-A1 PROCESS FOR PRODUCING A LIQUID EXTRACT, PROCESS FOR PRODUCING COFFEE WITH REDUCED BITTERNESS, PROCESS FOR PRODUCING TEA, AND PROCESS FOR PRODUCING A LIQUID EXTRACT WHICH INCLUDE PYRAZINES THE COCA-COLA COMPANY (US) 2016-11-24 WO disclosed
US-20160228581-A1 MACROCYCLES, COBALT AND IRON COMPLEXES OF SAME, AND METHODS OF MAKING AND USING SAME THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 2016-08-11 US disclosed
US-20140193344-A1 IMAGING CONTRAST AGENTS AND USES THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2014-07-10 US disclosed
US-20130011361-A1 PYRAZOLE DERIVATIVES WHICH MODULATE STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2013-01-10 US disclosed
US-20130011361-A1 PYRAZOLE DERIVATIVES WHICH MODULATE STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2013-01-10 US disclosed
US-20090306108-A1 SUBSTITUTED PYRIMIDINONES PFIZER INC 2009-12-10 US disclosed
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
US-20090264444-A1 Organic compounds XENON PHARMACEUTICALS INC. (CA) 2009-10-22 US disclosed
EP-1902717-A2 Vasopressin antagonist and oxytocin antagonist Otsuka Pharmaceutical Company, Limited (JP) 2008-03-26 EP disclosed
EP-0620003-B1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMA CO LTD (JP) 2008-01-16 EP disclosed
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES PHARMACIA CORPORATION (US) 2007-07-19 US disclosed
US-7183287-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2007-02-27 US disclosed
US-5753644-A Vasopressin antagonist and oxytocin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5622947-A VASODILATORS, HYPOTENSIVE AGENTS, DIURETICS, PLATELET AGGLUTINATION INHIBITORS; ALSO USED TO PREVENT PREMATURE BIRTH, TREAT DYSMENORRHEA OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-22 US disclosed
EP-0620003-A1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP 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 (8 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-20130011361-A1 PYRAZOLE DERIVATIVES WHICH MODULATE STEAROYL-COA DESATURASE SCD, SCD5, FADS2 NOS3 1598/4885NOS1 2441/4885NOS2 2421/4885
US-20140193344-A1 IMAGING CONTRAST AGENTS AND USES THEREOF SLC40A1, SLC39A14, SLC39A3 NOS3 635/4885NOS1 1118/4885NOS2 355/4885
US-20090306108-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 NOS3 333/4885NOS1 182/4885NOS2 190/4885
US-20160228581-A1 MACROCYCLES, COBALT AND IRON COMPLEXES OF SAME, AND METHODS OF MAKING AND USING SAME ABCB7, FECH, CYC1 NOS3 221/4885NOS1 243/4885NOS2 164/4885
US-11246949-B2 Imaging contrast agents and uses thereof SLC40A1, SLC39A14, SLC39A3 NOS3 635/4885NOS1 1118/4885NOS2 355/4885
US-20090264444-A1 Organic compounds SCD, SCD5, FADS2 NOS3 912/4885NOS1 1344/4885NOS2 1158/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 NOS3 333/4885NOS1 182/4885NOS2 190/4885
US-20210087147-A1 SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, NOD1, NLRP1 NOS3 1224/4885NOS1 479/4885NOS2 1168/4885

“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.