SCHEMBL3785744

SCHEMBL3785744

NC(=O)C1CNCCN1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
CYP2D6 P10635 1/20 0.37
HTR6 P50406 1/20 0.33
CA1 P00915 4/20 0.32
CA2 P00918 4/20 0.32
CA4 P22748 4/20 0.32
CA9 Q16790 4/20 0.32
FPR2 P25090 1/20 0.31
SCN9A Q15858 1/20 0.31
SLC6A1 P30531 2/20 0.31
SLC6A11 P48066 1/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLC6A13 Q9NSD5 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA3 P32297 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
SCHEMBL23827563 1.00 KDM4E (0.37) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL30111027 1.00 KDM4E (0.37) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL572568 0.86 KDM4E (0.38) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL7817864 0.86 KDM4E (0.38) KDM4EMAPTKMT2AATMCYP2D6
Water SCHEMBL7151392 0.85 KDM4E (0.37) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL15542301 0.84 SLC6A1 (0.36) KMT2ACYP2D6HTR6CA1CA2
SCHEMBL3272707 0.84 SLC6A1 (0.36) KMT2ACYP2D6HTR6CA1CA2
SCHEMBL4383814 0.84 SLC6A1 (0.36) KMT2ACYP2D6HTR6CA1CA2
SCHEMBL7349678 0.83 ATM (0.36) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL17276241 0.81 SLC6A1 (0.31) SLC6A1SLC6A11TSHRLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108480890-A One kind being used for underground engineering waste pipe welder and its working method 徐州工程学院 2018-09-04 CN claimed
CN-1976904-A Pyridazin-3 (2H) -one derivatives and their use as PDE4 inhibitors ALMIRALL LAB (ES) 2007-06-06 CN claimed
CN-114213415-A Macrocyclic pyrimidine derivatives 詹森药业有限公司 2022-03-22 CN disclosed
CN-106164075-B Macrocyclic pyrimidine derivatives 詹森药业有限公司 2021-11-26 CN disclosed
US-20210292330-A1 PYRROLIDINE-FUSED HETEROCYCLES ERASCA, INC. 2021-09-23 US disclosed
EP-3371151-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS Agency For Science, Technology And Research (SG) 2018-09-12 EP disclosed
US-10017509-B2 Macrocylic pyrimidine derivatives JANSSEN PHARMACEUTICA NV (BE) 2018-07-10 US disclosed
EP-3126364-B1 MACROCYLIC PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2018-02-07 EP disclosed
WO-2017061957-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-04-13 WO disclosed
EP-3126364-A1 MACROCYLIC PYRIMIDINE DERIVATIVES Janssen Pharmaceutica, N.V. (BE) 2017-02-08 EP disclosed
US-20170022202-A1 MACROCYLIC PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-01-26 US disclosed
CN-106164075-A Macrocyclic pyrimidine derivatives 詹森药业有限公司 2016-11-23 CN disclosed
WO-2015150555-A1 MACROCYLIC PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2015-10-08 WO disclosed
EP-2168958-A1 Isoindole-Imide Compounds, Compositions And Uses Thereof CELGENE CORPORATION (US) 2010-03-31 EP disclosed
CN-1976904-A Pyridazin-3 (2H) -one derivatives and their use as PDE4 inhibitors ALMIRALL LAB (ES) 2007-06-06 CN disclosed
EP-1767533-A1 N-{(2-(2,6-dioxo(3-piperidyl)-1,3-dioxo-2,3-dihydro-1H-isoindolin-4-yl)methyl}cyclopropylcarboxamide as TNF inhibitor CELGENE CORPORATION (US) 2007-03-28 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 (3 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-20170022202-A1 MACROCYLIC PYRIMIDINE DERIVATIVES EEF2K, VPS26B, VPS28 KDM4E 1710/4885MAPT 3442/4885KMT2A 3569/4885
US-20210292330-A1 PYRROLIDINE-FUSED HETEROCYCLES SDHB, CCNI, SDHA KDM4E 2603/4885MAPT 2372/4885KMT2A 2767/4885
US-10017509-B2 Macrocylic pyrimidine derivatives EEF2K, VPS26B, VPS28 KDM4E 1710/4885MAPT 3442/4885KMT2A 3569/4885

“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.