SCHEMBL173426

SCHEMBL173426

CC(C)(C)OC(=O)N1CCCC(=O)C(Br)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
EPHX1 P07099 1/20 0.43
FPR2 P25090 1/20 0.41
PREP P48147 2/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ELANE P08246 1/20 0.40
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39
NR1H2 P55055 1/20 0.39
DDB1 Q16531 2/20 0.39
CRBN Q96SW2 2/20 0.39
USP30 Q70CQ3 1/20 0.38

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
SCHEMBL166445 0.91 USP2 (0.42) HPGDMEN1KMT2AMAPTALDH1A1
SCHEMBL3652964 0.86 USP2 (0.42) HPGDMAPTALDH1A1EPHX1USP2
SCHEMBL15494496 0.84 HPGD (0.46) HPGDMEN1KMT2AMAPTALDH1A1
SCHEMBL1963747 0.82 HPGD (0.44) HPGDMEN1KMT2AMAPTALDH1A1
SCHEMBL31424868 0.80 MEN1 (0.45) HPGDMEN1KMT2AMAPTALDH1A1
SCHEMBL24209530 0.79 MEN1 (0.50) HPGDMEN1KMT2AMAPTALDH1A1
SCHEMBL171462 0.78 EPHX1 (0.50) HPGDMAPTALDH1A1EPHX1USP2
SCHEMBL29974438 0.76 MAPT (0.44) HPGDMEN1KMT2AMAPTALDH1A1
SCHEMBL29960225 0.76 RORC (0.47) KDM4EUSP30
SCHEMBL183693 0.76 MAPT (0.44) HPGDMEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025038920-A1 HETEROARYL AMINE COMPOUNDS AND USES THEREOF XENON PHARMACEUTICALS, INC. (CA) 2025-02-20 WO disclosed
WO-2025038917-A1 HETEROARYL AMINE COMPOUNDS AND USES THEREOF XENON PHARMACEUTICALS INC. (CA) 2025-02-20 WO disclosed
WO-2023114858-A1 BENZOFURAN AND BENZOTHIOPHENE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. (US) 2023-06-22 WO disclosed
CN-116018138-A Substituted 1H-imidazo [1,2-b ] pyrazole-3-carboxamides as inhibitors of brunauer tyrosine kinase 河南知微生物医药有限公司 2023-04-25 CN disclosed
WO-2022012550-A1 SUBSTITUTED 1H-IMIDAZO [1, 2-B] PYRAZOLE-3-CARBOXAMIDE AS BRUTON'S TYROSINE KINASE INHIBITORS HENAN NORMAL UNIVERSITY (CN) 2022-01-20 WO disclosed
WO-2022012550-A1 SUBSTITUTED 1H-IMIDAZO [1, 2-B] PYRAZOLE-3-CARBOXAMIDE AS BRUTON'S TYROSINE KINASE INHIBITORS HENAN NORMAL UNIVERSITY (CN) 2022-01-20 WO disclosed
US-9090632-B2 Bicyclic oxazole and thiazole compounds and their use as allosteric modulators of mGluR5 receptors VANDERBILT UNIVERSITY (US) 2015-07-28 US disclosed
US-9090632-B2 Bicyclic oxazole and thiazole compounds and their use as allosteric modulators of mGluR5 receptors VANDERBILT UNIVERSITY (US) 2015-07-28 US disclosed
US-9090632-B2 Bicyclic oxazole and thiazole compounds and their use as allosteric modulators of mGluR5 receptors VANDERBILT UNIVERSITY (US) 2015-07-28 US disclosed
US-20130261107-A1 BICYCLIC OXAZOLE AND THIAZOLE COMPOUNDS AND THEIR USE AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY (US) 2013-10-03 US disclosed
US-20130261107-A1 BICYCLIC OXAZOLE AND THIAZOLE COMPOUNDS AND THEIR USE AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY (US) 2013-10-03 US disclosed
US-20130261107-A1 BICYCLIC OXAZOLE AND THIAZOLE COMPOUNDS AND THEIR USE AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY (US) 2013-10-03 US disclosed
EP-2611298-A1 BICYCLIC OXAZOLE AND THIAZOLE COMPOUNDS AND THEIR USE AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS Vanderbilt University (US) 2013-07-10 EP disclosed
WO-2012031024-A1 BICYCLIC OXAZOLE AND THIAZOLE COMPOUNDS AND THEIR USE AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY (US) 2012-03-08 WO disclosed
WO-2012031024-A1 BICYCLIC OXAZOLE AND THIAZOLE COMPOUNDS AND THEIR USE AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY (US) 2012-03-08 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 (1 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-20130261107-A1 BICYCLIC OXAZOLE AND THIAZOLE COMPOUNDS AND THEIR USE AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS GRM5, GRIK5, GRM1 HPGD 3484/4885MEN1 4757/4885KMT2A 2478/4885

“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.