SCHEMBL3930922

SCHEMBL3930922

CN(C)C(=O)C1CCCN1C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
BCHE P06276 2/20 0.41
CASP3 P42574 1/20 0.37
GLI1 P08151 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
DPP4 P27487 2/20 0.33
OPRL1 P41146 1/20 0.33
ACE P12821 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL15386556 1.00 CYP3A4 (0.41) CYP3A4CYP2D6BCHECASP3GLI1
SCHEMBL8260203 1.00 CYP3A4 (0.41) CYP3A4CYP2D6BCHECASP3GLI1
SCHEMBL14434721 0.94 CYP3A4 (0.37) CYP3A4CYP2D6BCHECASP3GLI1
SCHEMBL8261848 0.94 CYP3A4 (0.37) CYP3A4CYP2D6BCHECASP3GLI1
SCHEMBL20095980 0.87 BCHE (0.36) CYP3A4CYP2D6BCHECASP3GLI1
SCHEMBL20095979 0.87 BCHE (0.36) CYP3A4CYP2D6BCHECASP3GLI1
SCHEMBL5597367 0.84 CYP3A4 (0.40) CYP3A4CYP2D6BCHEL3MBTL3ACE
SCHEMBL20063354 0.81 CYP3A4 (0.38) CYP3A4CYP2D6DPP4ACE
SCHEMBL25663879 0.81 CYP3A4 (0.38) CYP3A4CYP2D6DPP4ACE
SCHEMBL20063360 0.81 CYP3A4 (0.38) CYP3A4CYP2D6BCHEL3MBTL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012101654-A2 NOVEL TRIAZINE COMPOUNDS SPHAERA PHARMA PVT. LTD (IN) 2012-08-02 WO claimed
EP-1786792-B1 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY ASTELLAS PHARMA INC (JP) 2009-04-08 EP claimed
US-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2007-11-01 US claimed
EP-1786792-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY Astellas Pharma Inc. (JP) 2007-05-23 EP claimed
WO-2006011631-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY ASTELLAS PHARMA INC. (JP) 2006-02-02 WO claimed
EP-0449191-B1 2-(Substituted pyrrolidinylthio)carbapenem derivatives BANYU PHARMA CO LTD (JP) 1996-07-03 EP claimed
US-5438054-A Antibacterial agent BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-01 US claimed
WO-1991014687-A1 2-(SUBSTITUTED PYRROLIDINYLTHIO)CARBAPENEM DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-10-03 WO claimed
WO-2023222850-A1 AMIDO HETEROAROMATIC COMPOUNDS USEFUL IN THE TREATMENT OF LIVER DISEASES ASTRAZENECA AB (SE) 2023-11-23 WO disclosed
US-20230323345-A1 UNA OLIGOMERS FOR THE TREATMENT OF POLYGLUTAMINE DISEASES ARCTURUS THERAPEUTICS, INC. 2023-10-12 US disclosed
WO-2022269508-A1 PYRAZOLYL DERIVATIVES AS INHIBITORS OF THE KRAS MUTANT PROTEIN NOVARTIS AG (CH) 2022-12-29 WO disclosed
WO-2022087624-A1 COMPOUNDS AS RAS INHIBITORS AND USES THEREOF BIOARDIS LLC (US) 2022-04-28 WO disclosed
EP-3416957-B1 6-HETEROCYCLYL-4-MORPHOLIN-4-YLPYRIDIN-2-ONE COMPOUNDS USEFUL FOR THE TREATMENT OF CANCER AND DIABETES SPRINT BIOSCIENCE AB (SE) 2020-07-01 EP disclosed
US-20180148452-A1 TOLL-LIKE RECEPTOR-7 AGONIST MEDSHINE DISCOVERY INC. (CN) 2018-05-31 US disclosed
US-20070010531-A1 Substituted pyrazole compounds MERCK PATENT GMBH (DE) 2007-01-11 US disclosed
WO-2006011631-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY ASTELLAS PHARMA INC. (JP) 2006-02-02 WO disclosed
EP-0449191-B1 2-(Substituted pyrrolidinylthio)carbapenem derivatives BANYU PHARMA CO LTD (JP) 1996-07-03 EP disclosed
US-5438054-A Antibacterial agent BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-01 US disclosed
US-5374720-A A thienamycins bactericides has nontoxic, side effect reduction against the kidney and central nervous system BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-12-20 US disclosed
EP-0449191-A1 2-(Substituted pyrrolidinylthio)carbapenem derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-10-02 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 (4 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-20230323345-A1 UNA OLIGOMERS FOR THE TREATMENT OF POLYGLUTAMINE DISEASES UPF1, HNRNPUL1, HNRNPUL2 CYP3A4 4881/4885CYP2D6 4878/4885BCHE 4736/4885
US-20180148452-A1 TOLL-LIKE RECEPTOR-7 AGONIST TLR7, TLR9, TLR1 CYP3A4 2582/4885CYP2D6 2903/4885BCHE 4620/4885
US-20070010531-A1 Substituted pyrazole compounds HTR3A, HTR1A, HTR1D CYP3A4 251/4885CYP2D6 195/4885BCHE 3839/4885
US-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity VCAM1, VAPB, VAPA CYP3A4 4080/4885CYP2D6 4386/4885BCHE 4798/4885

“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.