SCHEMBL1397689

SCHEMBL1397689

CN1CCN(c2cccc(C(N)=O)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.62
PLOD2 O00469 1/20 0.60
PLOD3 O60568 1/20 0.60
PLOD1 Q02809 1/20 0.60
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
HSD17B10 Q99714 2/20 0.59
HTR2C P28335 2/20 0.56
HDAC3 O15379 3/20 0.55
HDAC4 P56524 3/20 0.55
HDAC1 Q13547 3/20 0.55
HDAC7 Q8WUI4 3/20 0.55
HDAC2 Q92769 3/20 0.55
HDAC10 Q969S8 3/20 0.55
HDAC11 Q96DB2 3/20 0.55
HDAC8 Q9BY41 3/20 0.55
HDAC6 Q9UBN7 3/20 0.55
HDAC9 Q9UKV0 3/20 0.55
HDAC5 Q9UQL6 3/20 0.55
MEN1 O00255 1/20 0.54

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
SCHEMBL30760618 1.00 ADRA2C (0.62) ADRA2CPLOD2PLOD3PLOD1KDM4E
Hydrochloric Acid SCHEMBL16209753 0.98 ADRA2C (0.60) ADRA2CPLOD2PLOD3PLOD1KDM4E
Hydrochloric Acid SCHEMBL30760605 0.98 ADRA2C (0.60) ADRA2CPLOD2PLOD3PLOD1KDM4E
SCHEMBL1286697 0.87 PLOD2 (0.60) ADRA2CPLOD2PLOD3PLOD1KDM4E
SCHEMBL3319386 0.87 ALDH1A1 (0.73) ADRA2CPLOD2PLOD3PLOD1KDM4E
SCHEMBL29631156 0.87 ALDH1A1 (0.73) ADRA2CPLOD2PLOD3PLOD1KDM4E
SCHEMBL3320233 0.85 PLOD2 (0.59) ADRA2CPLOD2PLOD3PLOD1KDM4E
SCHEMBL3728008 0.85 AOC3 (0.57) KDM4EALDH1A1HSD17B10PARP1TP53BP1
SCHEMBL10739904 0.84 PLOD2 (0.66) ADRA2CPLOD2PLOD3PLOD1KDM4E
SCHEMBL18352938 0.84 PLOD2 (0.62) ADRA2CPLOD2PLOD3PLOD1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190834-B1 PYRIDONEAMIDE DERIVATIVES AS FOCAL ADHESION KINASE (FAK) INHIBITORS AND THEIR USE FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2011-03-02 EP claimed
EP-2190834-A1 PYRIDONEAMIDE DERIVATIVES AS FOCAL ADHESION KINASE (FAK) INHIBITORS AND THEIR USE FOR THE TREATMENT OF CANCER F. Hoffmann-Roche AG (CH) 2010-06-02 EP claimed
EP-2065380-A1 Pyridoneamide derivatives as focal adhesion kinase (FAK) inhibitors and their use for the treatment of cancer F.HOFFMANN-LA ROCHE AG (CH) 2009-06-03 EP claimed
WO-2009024332-A1 PYRIDONEAMIDE DERIVATIVES AS FOCAL ADHESION KINASE (FAK) INHIBITORS AND THEIR USE FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2009-02-26 WO claimed
EP-1919875-A2 PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS Astex Therapeutics Limited (GB) 2008-05-14 EP claimed
WO-2006136829-A2 PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 WO claimed
EP-0946539-B1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 2003-08-13 EP claimed
US-20030069233-A1 Sulphonamide derivatives, process for their preparation, and their use as medicaments SMITHKLINE BEECHAM P.L.C. 2003-04-10 US claimed
EP-0946539-A1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1999-10-06 EP claimed
WO-1998027081-A1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1998-06-25 WO claimed
EP-4317162-B1 1,3-BENZODIOXOLANE-CONTAINING COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF XIAN XINTONG PHARMACEUTICAL RES CO LTD (CN) 2026-02-04 EP disclosed
US-20240059694-A1 COMPOUND CONTAINING 1,3-BENZODIOXOL STRUCTURE AND PREPARATION METHOD AND USE THEREOF XI'AN XINTONG PHARMACEUTICAL RESEARCH CO., LTD. (CN) 2024-02-22 US disclosed
EP-4317162-A1 1,3-BENZODIOXOLANE-CONTAINING COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF Xi'An Xintong Pharmaceutical Research Co., Ltd. (CN) 2024-02-07 EP disclosed
CN-117396462-A Antiviral compounds 英菲克斯治疗有限公司 2024-01-12 CN disclosed
WO-2022206531-A1 1,3-BENZODIOXOLANE-CONTAINING COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 西安新通药物研究股份有限公司 2022-10-06 WO disclosed
US-20030069233-A1 Sulphonamide derivatives, process for their preparation, and their use as medicaments SMITHKLINE BEECHAM P.L.C. 2003-04-10 US disclosed
US-6423717-B1 NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-23 US disclosed
CN-1246116-A Sulfonamide derivatives, process for their preparation and their use as medicaments SMITHKLINE BEECHAM PLC (GB) 2000-03-01 CN disclosed
EP-0946539-A1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1999-10-06 EP disclosed
WO-1998027081-A1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1998-06-25 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 (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-20030069233-A1 Sulphonamide derivatives, process for their preparation, and their use as medicaments TPMT, MPST, STS ADRA2C 3512/4885PLOD2 4652/4885PLOD3 4851/4885
US-20240059694-A1 COMPOUND CONTAINING 1,3-BENZODIOXOL STRUCTURE AND PREPARATION METHOD AND USE THEREOF BTK, JAK3, JAK1 ADRA2C 2796/4885PLOD2 2611/4885PLOD3 2648/4885

“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.