SCHEMBL473462

SCHEMBL473462

CC(C)(C)OC(=O)N[C@H]1CC[C@H](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
SCHEMBL473460 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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3093285-B1 GADOLINIUM COMPLEX COMPRISING DO3A-TRANEXAMIC ACID CONJUGATE KYUNGPOOK NAT UNIV IND ACADEMIC COOP FOUND (KR) 2020-07-08 EP disclosed
US-10640488-B2 Antibacterial compounds AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2020-05-05 US disclosed
US-10633366-B2 Antibacterial compounds AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2020-04-28 US disclosed
US-20200095225-A9 NEW ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2020-03-26 US disclosed
US-20190256495-A1 NEW ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2019-08-22 US disclosed
US-20190161472-A1 NEW ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2019-05-30 US disclosed
US-10245328-B2 Gadolinium complex comprising DO3A-tranexamic acid conjugate KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2019-04-02 US disclosed
WO-2017211759-A1 NEW ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2017-12-14 WO disclosed
WO-2017211760-A1 NEW ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2017-12-14 WO 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-1775298-B1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO CO LTD (JP) 2013-03-20 EP disclosed
EP-2066319-B1 BENZOTRIAZOLE KINASE MODULATORS HOFFMANN LA ROCHE (CH) 2012-02-01 EP disclosed
US-20110166343-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-07-07 US disclosed
US-20110166343-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-07-07 US disclosed
US-7932250-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-26 US disclosed
US-7932250-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-26 US disclosed
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity ASUBIO PHARMA CO., LTD. (JP) 2009-05-21 US disclosed
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity ASUBIO PHARMA CO., LTD. (JP) 2009-05-21 US disclosed
US-20080103142-A1 Benzotriazole kinase modulators ROCHE PALO ALTO LLC 2008-05-01 US disclosed
EP-1775298-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY Daiichi Asubio Pharma Co., Ltd. (JP) 2007-04-18 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 (9 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-20190161472-A1 NEW ANTIBACTERIAL COMPOUNDS MRPL21, LAS1L, MRPL19 EPHX1 2997/4885BTK 2361/4885GAA 1144/4885
US-20200095225-A9 NEW ANTIBACTERIAL COMPOUNDS MRPL21, CLPP, NRDC EPHX1 3978/4885BTK 2968/4885GAA 969/4885
US-10633366-B2 Antibacterial compounds MRPL21, LAS1L, MRPL19 EPHX1 3312/4885BTK 1854/4885GAA 846/4885
US-20110166343-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY PDE7A, PDE7B, PDE3B EPHX1 2147/4885BTK 1602/4885GAA 3005/4885
US-10245328-B2 Gadolinium complex comprising DO3A-tranexamic acid conjugate F13A1, SERPINC1, F3 EPHX1 3338/4885BTK 4806/4885GAA 1188/4885
US-20190256495-A1 NEW ANTIBACTERIAL COMPOUNDS MRPL21, CLPP, NRDC EPHX1 3978/4885BTK 2968/4885GAA 969/4885
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity PDE7A, PDE7B, PDE3B EPHX1 2147/4885BTK 1602/4885GAA 3005/4885
US-10640488-B2 Antibacterial compounds MRPL21, CLPP, NRDC EPHX1 3980/4885BTK 3372/4885GAA 596/4885
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.