SCHEMBL316937

SCHEMBL316937

COC(=O)N1CCNCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.50
CHRNA4 P43681 3/20 0.50
CHRNA3 P32297 2/20 0.50
CHRNB4 P30926 1/20 0.50
CA2 P00918 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA9 Q16790 1/20 0.48
CHKA P35790 1/20 0.46
CHRNB3 Q05901 1/20 0.45
CHRNA6 Q15825 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
USP2 O75604 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2D6 P10635 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
TPSAB1 Q15661 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
SCHEMBL6721 1.00 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA3CHRNB4CA2
Ethane SCHEMBL27604108 0.98 CHRNB2 (0.48) CHRNB2CHRNA4CHRNA3CHRNB4CA2
Hydrochloric Acid SCHEMBL399052 0.98 CHRNB2 (0.48) CHRNB2CHRNA4CHRNA3CHRNB4CA2
SCHEMBL18689130 0.92 CA2 (0.50) CHRNB2CHRNA4CHRNA3CHRNB4CA2
Hydrochloric Acid SCHEMBL23778305 0.90 CA2 (0.48) CHRNB2CHRNA4CHRNA3CHRNB4CA2
Phosphoric Acid SCHEMBL29151557 0.90 CHRNB2 (0.43) CHRNB2CHRNA4CHRNA3CHRNB4CA2
SCHEMBL13935798 0.88 CA2 (0.47) CHRNB2CHRNA4CHRNA3CHRNB4CA2
Fumaric Acid SCHEMBL27690913 0.88 HCAR2 (0.42) CHRNB2CHRNA4CHRNA3CHRNB4CA2
SCHEMBL4919297 0.86
SCHEMBL16474061 0.85 CA2 (0.47) CHRNB2CHRNA4CHRNA3CHRNB4CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5763438-A ANTIVIRAL AGENTS SEIKAGAKU CORPORATION (JP) 1998-06-09 US claimed
EP-0765865-A1 2-ACYLAMINOPROPANOL COMPOUND AND MEDICINAL COMPOSITION SEIKAGAKU CORPORATION (JP) 1997-04-02 EP claimed
US-20230414613-A1 PHARMACEUTICAL COMPOSITIONS Shenzhen Pharmacin Co., Ltd. (CN) 2023-12-28 US disclosed
CN-116635015-A Pharmaceutical composition 深圳市药欣生物科技有限公司 2023-08-22 CN disclosed
EP-4221690-A1 PHARMACEUTICAL COMPOSITIONS Shenzhen Pharmacin Co., Ltd. (CN) 2023-08-09 EP disclosed
EP-3984528-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NILOTINIB Novartis AG (CH) 2022-04-20 EP disclosed
US-20170143716-A1 METHOD OF TREATING PROLIFERATIVE DISORDERS AND OTHER PATHOLOGICAL CONDITIONS MEDIATED BY BCR-ABL, C-KIT, DDR1, DDR2 OR PDGF-R KINASE ACTIVITY NOVARTIS AG (CH) 2017-05-25 US disclosed
US-20170014468-A1 METHODS OF USE FOR THERAPEUTICS TARGETING THE PATHOGEN PORPHYROMONAS GINGIVALIS Cortexyme, Inc. 2017-01-19 US disclosed
EP-2186514-B1 Treatment of Malignant Peripheral Nerve Sheath Tumors UNIV KINKI (JP) 2016-06-29 EP disclosed
EP-3009128-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NILOTINIB Novartis AG (CH) 2016-04-20 EP disclosed
US-9301957-B2 Immediate release 4-methyl-3-4[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-N-[5-(4-methyl-1H-imidazol-1-YL)-3-(trifluoromethyl)phenyl] benzamide formulation NOVARTIS AG (CH) 2016-04-05 US disclosed
WO-2007022044-A2 COMBINATION OF ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-02-22 WO disclosed
US-7169791-B2 Inhibitors of tyrosine kinases NOVARTIS AG (CH) 2007-01-30 US disclosed
WO-2007010012-A2 COMBINATION OF A PYRIMIDYLAMINOBENZAMIDE AND AN MTOR KINASE INHIBITOR NOVARTIS AG (CH) 2007-01-25 WO disclosed
US-20060167015-A1 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-N-[5-(4-methyl-1H-imidazol1yl)-3-(trifluoromethyl)phenyl]benzamide or an N-oxide or salts; anticarcinogenic agent (leukaemia) NOVARTIS AG (CH) 2006-07-27 US disclosed
US-6951843-B2 Peptide derivatives and their pharmaceutically acceptable salts, thereof, processes for preparation of both and use thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2005-10-04 US disclosed
EP-1333024-A1 PEPTIDE DERIVATIVES AND THEIR PHARMACEUTICALLY ACCEPTABLE SALTS, PROCESSES FOR PREPARATION OF BOTH, AND USE THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2003-08-06 EP disclosed
US-20030087828-A1 Peptide derivatives and pharmaceutically acceptable salts, thereof, processes for preparation of both, and use thereof KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2003-05-08 US disclosed
US-5763438-A ANTIVIRAL AGENTS SEIKAGAKU CORPORATION (JP) 1998-06-09 US disclosed
EP-0765865-A1 2-ACYLAMINOPROPANOL COMPOUND AND MEDICINAL COMPOSITION SEIKAGAKU CORPORATION (JP) 1997-04-02 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 (5 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-20230414613-A1 PHARMACEUTICAL COMPOSITIONS ABL1, ABCG2, LIPA CHRNB2 4432/4885CHRNA4 4658/4885CHRNA3 4492/4885
US-20030087828-A1 Peptide derivatives and pharmaceutically acceptable salts, thereof, processes for preparation of both, and use thereof NGLY1, DOHH, VIP CHRNB2 4217/4885CHRNA4 4037/4885CHRNA3 3980/4885
US-20170014468-A1 METHODS OF USE FOR THERAPEUTICS TARGETING THE PATHOGEN PORPHYROMONAS GINGIVALIS AGER, CD38, APP CHRNB2 1285/4885CHRNA4 902/4885CHRNA3 1065/4885
US-20170143716-A1 METHOD OF TREATING PROLIFERATIVE DISORDERS AND OTHER PATHOLOGICAL CONDITIONS MEDIATED BY BCR-ABL, C-KIT, DDR1, DDR2 OR PDGF-R KINASE ACTIVITY DDR2, DDR1, ABL2 CHRNB2 1850/4885CHRNA4 3757/4885CHRNA3 3374/4885
US-20060167015-A1 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-N-[5-(4-methyl-1H-imidazol1yl)-3-(trifluoromethyl)phenyl]benzamide or an N-oxide or salts; anticarcinogenic agent (leukaemia) ABL1, CDK2, CDKN1A CHRNB2 4307/4885CHRNA4 3815/4885CHRNA3 3849/4885

“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.