SCHEMBL9901110

SCHEMBL9901110

CCCN(O)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 3/20 0.44
CA12 O43570 3/20 0.44
CA1 P00915 2/20 0.44
CA7 P43166 1/20 0.44
HDAC6 Q9UBN7 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 1/20 0.32
HDAC3 O15379 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
DGAT1 O75907 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALOX5 P09917 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 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
SCHEMBL24172307 0.88 CA12 (0.39) CA14CA12CA1CA7HDAC6
SCHEMBL21937996 0.86 CA14 (0.41) CA14CA12CA1CA7HDAC6
SCHEMBL8887438 0.84 HDAC1 (0.40) CA14CA12CA1CA7HDAC6
SCHEMBL23765988 0.83 NR1I2 (0.36) CA14CA12CA1CA7HDAC6
SCHEMBL7905771 0.83 CA14 (0.44) CA14CA12CA1CA7HDAC6
SCHEMBL3940725 0.82 HDAC6 (0.39) CA14CA12CA1CA7HDAC6
SCHEMBL929384 0.81 HDAC6 (0.36) CA14CA12CA1CA7HDAC6
SCHEMBL2608081 0.80 CA14 (0.49) CA14CA12CA1CA7HDAC6
SCHEMBL25074829 0.79 HDAC6 (0.35) CA14CA12CA1CA7HDAC6
SCHEMBL4061706 0.79 TDP1 (0.42) CA14CA12CA1CA7HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240197899-A1 2-AMINO-4-CARBOXAMIDE-BENZAZEPINE IMMUNOCONJUGATES, AND USES THEREOF BOLT BIOTHERAPEUTICS, INC. (US) 2024-06-20 US disclosed
EP-4313161-A1 2-AMINO-4-CARBOXAMIDE-BENZAZEPINE IMMUNOCONJUGATES, AND USES THEREOF Bolt Biotherapeutics, Inc. (US) 2024-02-07 EP disclosed
WO-2023102140-A1 TMPRSS2 INHIBITORS AND METHODS OF USE TOPSPIN THERAPEUTICS, INC. (US) 2023-06-08 WO disclosed
US-20220195066-A1 ANTI-CEA IMMUNOCONJUGATES, AND USES THEREOF BOLT BIOTHERAPEUTICS, INC. (US) 2022-06-23 US disclosed
WO-2022125904-A1 ANTI-HER2 IMMUNOCONJUGATES, AND USES THEREOF BOLT BIOTHERAPEUTICS, INC. (US) 2022-06-16 WO disclosed
WO-2022125884-A1 IMMUNOCONJUGATES COMPRISING AN ANTI-CEA ANTIBODY LINKED BY CONJUGATION TO ONE OR|MORE 8-HET-2- AMINOBENZAZEPINE DERIVATIVES USEFUL IN TREATING CANCER BOLT BIOTHERAPEUTICS, INC. (US) 2022-06-16 WO disclosed
WO-2022104079-A1 PYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS BTK INHIBITORS BIOGEN MA INC. (US) 2022-05-19 WO disclosed
WO-2021239117-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS CULLGEN (SHANGHAI) , INC. (CN) 2021-12-02 WO disclosed
EP-3526203-B1 N-ARYL AND N-HETEROARYL PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2021-09-22 EP disclosed
CN-109956957-A A kind of big ring class kinase inhibitor of imidazo [1,2-b] pyridazine 成都先导药物开发股份有限公司 2019-07-02 CN disclosed
US-20140057870-A1 BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY (US) 2014-02-27 US disclosed
WO-2013192347-A1 SUBSTITUTED BICYCLIC CYCLOALKYL PYRAZOLE LACTAM ANALOGS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY (US) 2013-12-27 WO disclosed
US-20130345204-A1 SUBSTITUTED BICYCLIC CYCLOALKYL PYRAZOLE LACTAM ANALOGS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN-CILAG, S.A. (ES) 2013-12-26 US disclosed
US-8592422-B2 Bicyclic triazole and pyrazole lactams as allosteric modulators of mGluR5 receptors VANDERBILT UNIVERSITY (US) 2013-11-26 US disclosed
EP-2651222-A1 BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS Vanderbilt University (US) 2013-10-23 EP disclosed
EP-2648723-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS Vanderbilt University (US) 2013-10-16 EP disclosed
US-20120295913-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY 2012-11-22 US disclosed
US-20120225844-A1 BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN-CILAG S.A. (ES) 2012-09-06 US disclosed
WO-2012083224-A1 BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY (US) 2012-06-21 WO disclosed
WO-2012078817-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY (US) 2012-06-14 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 (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-20140057870-A1 BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS GRM5, GRIK5, GRIN3A CA14 4774/4885CA12 4739/4885CA1 3387/4885
US-20130345204-A1 SUBSTITUTED BICYCLIC CYCLOALKYL PYRAZOLE LACTAM ANALOGS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS GRM5, GRIK5, GRM3 CA14 4692/4885CA12 4580/4885CA1 2945/4885
US-20240197899-A1 2-AMINO-4-CARBOXAMIDE-BENZAZEPINE IMMUNOCONJUGATES, AND USES THEREOF AADAC, BRD4, IDO2 CA14 195/4885CA12 284/4885CA1 460/4885
US-20220195066-A1 ANTI-CEA IMMUNOCONJUGATES, AND USES THEREOF EPHX2, FAAH2, CYP8B1 CA14 21/4885CA12 15/4885CA1 217/4885
US-20120225844-A1 BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS GRM5, GRIK5, GRIN3A CA14 4774/4885CA12 4739/4885CA1 3387/4885
US-20120295913-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS GRM5, GRIK5, GRM3 CA14 4728/4885CA12 4605/4885CA1 2747/4885

“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.