SCHEMBL473460

SCHEMBL473460

CC(C)(C)OC(=O)NC1CCC(NC(=O)CCl)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
BTK Q06187 1/20 0.49
GAA P10253 2/20 0.48
KDM1A O60341 1/20 0.46
MAOB P27338 1/20 0.46
CTSK P43235 2/20 0.46
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DRD2 P14416 4/20 0.43
KCNA3 P22001 1/20 0.43
DRD3 P35462 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
EPHX2 P34913 1/20 0.40

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
SCHEMBL473462 1.00 EPHX1 (0.50) EPHX1BTKGAAKDM1AMAOB
SCHEMBL1406894 0.86 BTK (0.61) EPHX1BTKGAAKDM1AMAOB
SCHEMBL10343938 0.86 BTK (0.61) EPHX1BTKGAAKDM1AMAOB
SCHEMBL3702152 0.86 BTK (0.61) EPHX1BTKGAAKDM1AMAOB
SCHEMBL3702157 0.86 BTK (0.61) EPHX1BTKGAAKDM1AMAOB
Methyl Alcohol SCHEMBL28082230 0.84 BTK (0.59) EPHX1BTKGAAKDM1AMAOB
SCHEMBL20893335 0.82 BTK (0.58) EPHX1BTKGAAKDM1AMAOB
Bicarbonate SCHEMBL187492 0.82 BTK (0.62) EPHX1BTKGAAKDM1AMAOB
SCHEMBL20445292 0.82 NPSR1 (0.60) EPHX1BTKGAAKDM1AMAOB
SCHEMBL12439739 0.81 BTK (0.53) EPHX1BTKGAAKDM1AMAOB

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
CN-109790157-A New antimicrobial compound 方济各安吉利克化学联合股份有限公司 2019-05-21 CN disclosed
CN-109415373-A New antimicrobial compound 方济各安吉利克化学联合股份有限公司 2019-03-01 CN disclosed
EP-3019492-B1 AMILORIDE-TYPE COMPOUNDS AS INHIBITORS IN EPITHELIAL SODIUM CHANNELS FOR THE TREATMENT OF DISEASES OF THE LUNGS AND AIRWAYS BOEHRINGER INGELHEIM INT (DE) 2017-09-06 EP disclosed
EP-3019492-A1 AMILORIDE-TYPE COMPOUNDS AS INHIBITORS IN EPITHELIAL SODIUM CHANNELS FOR THE TREATMENT OF DISEASES OF THE LUNGS AND AIRWAYS Boehringer Ingelheim International GmbH (DE) 2016-05-18 EP disclosed
US-9126982-B2 Heterocyclic compounds, medicaments containing them, use and processes for the preparation thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-08 US disclosed
US-8962622-B2 Benzotriazole kinase modulators ROCHE PALO ALTO LLC (US) 2015-02-24 US disclosed
WO-2015003958-A1 AMILORIDE-TYPE COMPOUNDS AS INHIBITORS IN EPITHELIAL SODIUM CHANNELS FOR THE TREATMENT OF DISEASES OF THE LUNGS AND AIRWAYS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-15 WO disclosed
US-20150011535-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING THEM, USE AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-08 US disclosed
EP-2066319-B1 BENZOTRIAZOLE KINASE MODULATORS HOFFMANN LA ROCHE (CH) 2012-02-01 EP disclosed
US-20080103142-A1 Benzotriazole kinase modulators ROCHE PALO ALTO LLC 2008-05-01 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 (2 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-20150011535-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING THEM, USE AND PROCESSES FOR THE PREPARATION THEREOF SCNN1B, SCNN1A, TRPM5 EPHX1 1974/4885BTK 2621/4885GAA 734/4885
US-20080103142-A1 Benzotriazole kinase modulators CDK1, CDK3, MAPK1 EPHX1 4028/4885BTK 297/4885GAA 4009/4885

“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.