SCHEMBL13596347

SCHEMBL13596347

CC(=O)c1ccc2c(c1)OCCN2C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
KDM4E B2RXH2 2/20 0.54
HDAC4 P56524 3/20 0.51
HDAC3 O15379 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51
PTGER3 P43115 1/20 0.50
NOTUM Q6P988 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
ALDH1A1 P00352 3/20 0.45
HTT P42858 2/20 0.45

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
SCHEMBL29976743 1.00 MEN1 (0.56) MEN1KMT2AKDM4EHDAC4HDAC3
SCHEMBL29977498 0.89 KDM4E (0.55) MEN1KMT2AKDM4EHDAC4HDAC3
SCHEMBL2064097 0.88 PTGER3 (0.50) MEN1KMT2AHDAC4HDAC3HDAC1
SCHEMBL29650191 0.88 PTGER3 (0.50) MEN1KMT2AHDAC4HDAC3HDAC1
SCHEMBL14364236 0.86 TSHR (0.57) MEN1KMT2AKDM4EHDAC4HDAC3
SCHEMBL1022827 0.86 PTGER3 (0.49) MEN1KMT2AHDAC4HDAC3HDAC1
SCHEMBL3238435 0.85 PTGER3 (0.49) MEN1KMT2AHDAC4HDAC3HDAC1
SCHEMBL18184674 0.85 ATM (0.63) MEN1KMT2AHDAC4HDAC3HDAC1
SCHEMBL14881901 0.84 PTGER3 (0.55) MEN1KMT2AHDAC4HDAC3HDAC1
SCHEMBL3732675 0.84 CYP2C9 (0.54) MEN1KMT2AKDM4EHDAC4HDAC3

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3405477-B1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-06-07 EP disclosed
US-20210277015-A1 OGA INHIBITOR COMPOUNDS JANSSEN-CILAG S.A. (ES) 2021-09-09 US disclosed
US-11072634-B2 Inhibitors of transglutaminases ZEDIRA GMBH (DE) 2021-07-27 US disclosed
WO-2019243527-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
US-20190322700-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2019-10-24 US disclosed
WO-2018122419-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2018-07-05 WO disclosed
EP-3342779-A1 INHIBITORS OF TRANSGLUTAMINASES Zedira GmbH (DE) 2018-07-04 EP disclosed
EP-2018371-B1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2015-03-04 EP disclosed
US-7638526-B2 Azetidine derivatives useful in treating pain, diabetes and disorders of lipid metabolism SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-20080089858-A1 AZETIDINE DERIVATIVES USEFUL IN TREATING PAIN, DIABETES AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION 2008-04-17 US 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-20080089858-A1 AZETIDINE DERIVATIVES USEFUL IN TREATING PAIN, DIABETES AND DISORDERS OF LIPID METABOLISM GPR119, PNLIP, CYP46A1 MEN1 3422/4885KMT2A 3822/4885KDM4E 2338/4885
US-20210277015-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN MEN1 3073/4885KMT2A 1825/4885KDM4E 1495/4885
US-20190322700-A1 INHIBITORS OF TRANSGLUTAMINASES TGM2, TGM3, TGM1 MEN1 593/4885KMT2A 1259/4885KDM4E 911/4885
US-11072634-B2 Inhibitors of transglutaminases TGM2, TGM3, TGM1 MEN1 593/4885KMT2A 1259/4885KDM4E 911/4885

“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.