SCHEMBL2104339

SCHEMBL2104339

O=[C]OCN1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
CYP1A2 P05177 1/20 0.31
MAPK1 P28482 1/20 0.31
CHRM5 P08912 1/20 0.31
ADRA2C P18825 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL5294933 0.97
SCHEMBL7706424 0.76 HRH3 (0.42) HRH3MAPTALDH1A1POLBL3MBTL1
SCHEMBL5543473 0.76 SMN1; SMN2 (0.39) POLBMEN1KMT2ASMN1; SMN2CHRM5
SCHEMBL15660677 0.76 KDM4E (0.39) HRH3ALDH1A1GAAPOLBL3MBTL1
SCHEMBL1998371 0.73 HRH3 (0.39) HRH3MAPTALDH1A1POLBL3MBTL1
SCHEMBL5251321 0.73 HRH3 (0.50) HRH3SMN1; SMN2CYP1A2MAPK1
SCHEMBL8561716 0.72 HRH3 (0.54) HRH3MAPTL3MBTL1
SCHEMBL5946007 0.70 HRH3 (0.46) HRH3MAPTALDH1A1SMN1; SMN2CYP1A2
SCHEMBL346747 0.69 HRH3 (0.43) LMNAHRH3MAPTALDH1A1GAA
SCHEMBL7016005 0.69 HRH3 (0.39) HRH3MAPTALDH1A1POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758051-B1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-04-11 EP claimed
EP-2758389-B1 PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2017-06-07 EP claimed
US-9394282-B2 Pyrazole carboxamides as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-07-19 US claimed
US-9328099-B2 Cyanomethylpyrazole carboxamides as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-03 US claimed
US-20140235641-A1 PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS INTERVET INC. 2014-08-21 US claimed
US-20140228348-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 US claimed
EP-3412663-B1 NITROGEN-CONTAINING HETEROCYCLE AND CARBOCYCLE DERIVATIVES HAVING TRKA INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2022-09-07 EP disclosed
US-20220235047-A1 A MEDICAMENT FOR TREATING MYCOBACTERIAL INFECTION CHARACTERIZED BY COMBINING A CYTOCHROME bc1 INHIBITOR WITH CLARITHROMYCIN OR AZITHROMYCIN AND CLOFAZIMINE SHIONOGI & CO., LTD. (JP) 2022-07-28 US disclosed
EP-4028130-A1 BENZYL AMINE-CONTAINING 5,6-HETEROAROMATIC COMPOUNDS USEFUL AGAINST MYCOBACTERIAL INFECTION Shionogi & Co., Ltd (JP) 2022-07-20 EP disclosed
WO-2022119899-A1 A MEDICAMENT FOR TREATING MYCOBACTERIAL INFECTION CHARACTERIZED BY COMBINING A CYTOCHROME BC1 INHIBITOR WITH CLARITHROMYCIN OR AZITHROMYCIN SHIONOGI & CO., LTD. (JP) 2022-06-09 WO disclosed
EP-3976031-A1 A MEDICAMENT FOR TREATING MYCOBACTERIAL INFECTION CHARACTERIZED BY COMBINING A CYTOCHROME BC1 INHIBITOR WITH CLARITHROMYCIN OR AZITHROMYCIN AND CLOFAZIMINE Shionogi & Co., Ltd (JP) 2022-04-06 EP disclosed
US-11008320-B2 Nitrogen-containing heterocycle and carbocycle derivatives having TrkA inhibitory activity SHIONOGI & CO., LTD. (JP) 2021-05-18 US disclosed
WO-2021050708-A1 BENZYL AMINE-CONTAINING 5,6-HETEROAROMATIC COMPOUNDS USEFUL AGAINST MYCOBACTERIAL INFECTION SHIONOGI & CO., LTD. (JP) 2021-03-18 WO disclosed
WO-2013043962-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-03-28 WO disclosed
US-8163735-B2 Sulfonamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2012-04-24 US disclosed
US-20090233909-A1 Sulfonamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2009-09-17 US disclosed
EP-1819667-A1 SULFONAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-08-22 EP disclosed
WO-2006060810-A1 SULFONAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-08 WO disclosed
US-5912352-A CATALYTIC REDUCTION OF HYDRAZIDE TO HYDRAZINE DERIVATIVE IN PRESENCE OF COMPLEX HYDRIDE; ACYL MIGRATION; HYDROGENATION; CATALYST SELECTIVITY NOVARTIS FINANCE CORPORATION (US) 1999-06-15 US disclosed
WO-1997046514-A1 PROCESS FOR THE PREPARATION OF HYDRAZINE DERIVATIVES USEFUL AS INTERMEDIATES FOR THE PREPARATION OF PEPTIDE ANALOGUES NOVARTIS AG (CH) 1997-12-11 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 (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-20220235047-A1 A MEDICAMENT FOR TREATING MYCOBACTERIAL INFECTION CHARACTERIZED BY COMBINING A CYTOCHROME bc1 INHIBITOR WITH CLARITHROMYCIN OR AZITHROMYCIN AND CLOFAZIMINE CYC1, MT-CO1, ABCB11 LMNA 4648/4885HRH3 4501/4885MAPT 3333/4885
US-20140228348-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 LMNA 4770/4885HRH3 675/4885MAPT 4684/4885
US-20090233909-A1 Sulfonamide compounds as cysteine protease inhibitors CTSF, CTSS, CSTB LMNA 3236/4885HRH3 717/4885MAPT 4402/4885
US-20140235641-A1 PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 LMNA 4840/4885HRH3 651/4885MAPT 4291/4885
US-11008320-B2 Nitrogen-containing heterocycle and carbocycle derivatives having TrkA inhibitory activity NTRK2, NTRK3, NTRK1 LMNA 3045/4885HRH3 379/4885MAPT 3690/4885

“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.