SCHEMBL1758181

SCHEMBL1758181

NC(=O)c1ccc(C2CCNCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.55
SLC18A3 Q16572 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
HTR2C P28335 2/20 0.49
QDPR P09417 1/20 0.49
PARP1 P09874 3/20 0.48
PARP2 Q9UGN5 1/20 0.48
NAMPT P43490 1/20 0.46
PARP10 Q53GL7 1/20 0.45
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
Hydrochloric Acid SCHEMBL3630728 0.98 CYP2C9 (0.54) CYP2C9SLC18A3SIGMAR1HTR2CQDPR
SCHEMBL28051628 0.95 CYP2C9 (0.51) CYP2C9SLC18A3SIGMAR1HTR2CQDPR
Hydrochloric Acid SCHEMBL28051650 0.93 PARP1 (0.50) CYP2C9SLC18A3SIGMAR1HTR2CQDPR
SCHEMBL12505084 0.89 HTR3A (0.56) PARP1JAK3
Trifluoroacetic Acid SCHEMBL6703422 0.89 HTR2C (0.51) CYP2C9SLC18A3SIGMAR1HTR2CQDPR
Hydrochloric Acid SCHEMBL4200472 0.88 HTR3A (0.54) PARP1JAK3
Hydrochloric Acid SCHEMBL4200477 0.88 HTR3A (0.54) PARP1JAK3
SCHEMBL2762400 0.86 CYP2C9 (0.69) CYP2C9PARP1PARP2PARP10HDAC1
Hydrochloric Acid SCHEMBL28200483 0.84 CYP2C9 (0.67) CYP2C9PARP1PARP2PARP10HDAC1
Hydrochloric Acid SCHEMBL28051652 0.84 PARP1 (0.52) PARP1PARP2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10034892-B2 Composition and methods of use of small molecules as binding ligands for the modulation of proprotein convertase subtilisin/kexin type 9(PCSK9) protein activity SRX CARDIO, LLC (US) 2018-07-31 US claimed
US-20170246196-A1 COMPOSITION AND METHODS OF USE OF SMALL MOLECULES AS BINDING LIGANDS FOR THE MODULATION OF PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9(PCSK9) PROTEIN ACTIVITY SRX CARDIO, LLC (US) 2017-08-31 US claimed
EP-3182971-A1 COMPOSITION AND METHODS OF USE OF SMALL MOLECULES AS BINDING LIGANDS FOR THE MODULATION OF PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9(PCSK9) PROTEIN ACTIVITY SRX Cardio, LLC (US) 2017-06-28 EP claimed
EP-2906559-B1 AZAINDOLINES HOFFMANN LA ROCHE (CH) 2017-02-08 EP claimed
US-9309248-B2 Azaindolines HOFFMANN-LA ROCHE INC. (US) 2016-04-12 US claimed
WO-2016029037-A1 COMPOSITION AND METHODS OF USE OF SMALL MOLECULES AS BINDING LIGANDS FOR THE MODULATION OF PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9(PCSK9) PROTEIN ACTIVITY SRX CARDIO, LLC (US) 2016-02-25 WO claimed
US-20150266879-A1 AZAINDOLINES HOFFMANN-LA ROCHE INC. 2015-09-24 US claimed
EP-2906559-A1 AZAINDOLINES F. Hoffmann-La Roche AG (CH) 2015-08-19 EP claimed
WO-2014056871-A1 AZAINDOLINES F. HOFFMANN-LA ROCHE AG (CH) 2014-04-17 WO claimed
WO-2024197289-A1 NEGATIVE ALLOSTERIC MODULATORS OF GLUN2B RECEPTORS AND METHODS OF MAKING AND USING THE SAME GILGAMESH PHARMACEUTICALS, INC. (US) 2024-09-26 WO disclosed
US-11998539-B2 Substituted aminoquinolones as DGKalpha inhibitors for immune activation BAYER AKTIENGESELLSCHAFT (DE) 2024-06-04 US disclosed
US-20240122951-A1 METHOD TO TREAT LIPID DYSREGULATION BY MODULATING ACTIVITY OF PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) PROTEIN WITH SMALL MOLECULE LIGANDS SRX CARDIO, LLC 2024-04-18 US disclosed
US-11771710-B2 Method to treat lipid dysregulation by modulation of proprotein convertase subtilisin/kexin type 9 (PCSK9) protein activity with small molecule ligands SRX CARDIO, LLC (US) 2023-10-03 US disclosed
US-20230201186-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION BAYER AKTIENGESELLSCHAFT (DE) 2023-06-29 US disclosed
US-20040044008-A1 Use of therapeutic benzamide derivatives DAUGAN ALAIN CLAUDE-MARIE (FR) 2004-03-04 US disclosed
US-6552022-B1 Atherosclerosis in a mammal, pancreatitis, non-insulin dependent diabetes mellitus, coronary heart disease in a lowering serum lipid levels SMITHKLINE BEECHAM CORPORATION 2003-04-22 US disclosed
EP-1286670-A2 USE OF THERAPEUTIC BENZAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-03-05 EP disclosed
WO-2001097810-A2 USE OF THERAPEUTIC BENZAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-12-27 WO disclosed
EP-1135378-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 SECRETION INHIBITORS GLAXO GROUP LIMITED (GB) 2001-09-26 EP disclosed
WO-2000032582-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 SECRETION INHIBITORS GLAXO GROUP LIMITED (GB) 2000-06-08 WO 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-20170246196-A1 COMPOSITION AND METHODS OF USE OF SMALL MOLECULES AS BINDING LIGANDS FOR THE MODULATION OF PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9(PCSK9) PROTEIN ACTIVITY PCSK9, LDLR, PCSK7 CYP2C9 1276/4885SLC18A3 4361/4885SIGMAR1 3522/4885
US-20150266879-A1 AZAINDOLINES AZI2, H1-5, CCNY CYP2C9 1279/4885SLC18A3 2439/4885SIGMAR1 724/4885
US-10034892-B2 Composition and methods of use of small molecules as binding ligands for the modulation of proprotein convertase subtilisin/kexin type 9(PCSK9) protein activity PCSK9, LDLR, PCSK7 CYP2C9 1276/4885SLC18A3 4361/4885SIGMAR1 3522/4885
US-11998539-B2 Substituted aminoquinolones as DGKalpha inhibitors for immune activation DGKK, DGKG, DGKA CYP2C9 3162/4885SLC18A3 4364/4885SIGMAR1 4076/4885
US-20240122951-A1 METHOD TO TREAT LIPID DYSREGULATION BY MODULATING ACTIVITY OF PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) PROTEIN WITH SMALL MOLECULE LIGANDS PCSK9, LDLR, PCSK7 CYP2C9 1207/4885SLC18A3 4472/4885SIGMAR1 3366/4885
US-11771710-B2 Method to treat lipid dysregulation by modulation of proprotein convertase subtilisin/kexin type 9 (PCSK9) protein activity with small molecule ligands PCSK9, LDLR, PCSK7 CYP2C9 1057/4885SLC18A3 4480/4885SIGMAR1 3312/4885
US-20040044008-A1 Use of therapeutic benzamide derivatives MTTP, LIPC, CETP CYP2C9 380/4885SLC18A3 1513/4885SIGMAR1 1346/4885
US-20230201186-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION DGKK, DGKG, DGKA CYP2C9 3162/4885SLC18A3 4364/4885SIGMAR1 4076/4885

“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.