SCHEMBL2896263

SCHEMBL2896263

N[C@H]1C[C@@H](C(=O)O)CN(C(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 1/20 0.39
ABAT P80404 2/20 0.34
SLC6A4 P31645 1/20 0.33
SLC6A12 P48065 3/20 0.31
SLC6A11 P48066 3/20 0.31
SLC6A13 Q9NSD5 3/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
ALOX15 P16050 1/20 0.30
OAT P04181 1/20 0.30
CYP2C19 P33261 1/20 0.30
MMP2 P08253 1/20 0.30
ANPEP P15144 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL27835423 1.00 GABRR1 (0.39) GABRR1ABATSLC6A4SLC6A12SLC6A11
SCHEMBL21178530 1.00 GABRR1 (0.39) GABRR1ABATSLC6A4SLC6A12SLC6A11
SCHEMBL19815798 0.84 GABRR1 (0.36) GABRR1SLC6A12SLC6A11SLC6A13MMP2
SCHEMBL30779755 0.84 CYP2C19 (0.36) GABRR1SLC6A4CYP1A2ALOX15CYP2C19
SCHEMBL1769221 0.79 CYP2C19 (0.39) GABRR1KDM4EALDH1A1CYP1A2ALOX15
SCHEMBL1907444 0.79
Hydrochloric Acid SCHEMBL18669317 0.77
SCHEMBL25283263 0.77 ATM (0.34) GABRR1MMP2ANPEP
SCHEMBL18957397 0.77 ATM (0.34) GABRR1MMP2ANPEP
SCHEMBL22413321 0.77 ATM (0.34) GABRR1MMP2ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11311542-B2 Inhibitors of cyclin dependent kinase 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2022-04-26 US disclosed
US-20210379065-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2021-12-09 US disclosed
EP-3740207-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2020-11-25 EP disclosed
WO-2019143719-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-07-25 WO disclosed
EP-2297114-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2018-06-06 EP disclosed
US-20160046601-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-02-18 US disclosed
US-9221836-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-29 US disclosed
US-20150191486-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-07-09 US disclosed
EP-2202228-B1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL (JP) 2014-12-10 EP disclosed
US-8664380-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-04 US disclosed
US-8329691-B2 Amide compounds and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-11 US disclosed
US-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-23 US disclosed
EP-2202228-A1 AMIDE COMPOUNDS AND USE OF THE SAME Takeda Pharmaceutical Company Limited (JP) 2010-06-30 EP disclosed
US-20100137587-A1 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-06-03 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 (6 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-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME REN, ACE, AGT GABRR1 3322/4885ABAT 505/4885SLC6A4 1440/4885
US-11311542-B2 Inhibitors of cyclin dependent kinase 7 (CDK7) CDK7, CDK3, CCNK GABRR1 4683/4885ABAT 2229/4885SLC6A4 4076/4885
US-20210379065-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CCNK GABRR1 4683/4885ABAT 2229/4885SLC6A4 4076/4885
US-20150191486-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE GABRR1 1912/4885ABAT 879/4885SLC6A4 1776/4885
US-20160046601-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE GABRR1 1912/4885ABAT 879/4885SLC6A4 1776/4885
US-20100137587-A1 Heterocyclic compound and use thereof REN, AGT, ACE GABRR1 1912/4885ABAT 879/4885SLC6A4 1776/4885

“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.