SCHEMBL165622

SCHEMBL165622

COC(=O)c1cccc(CN(C)C)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.66
CYP4F2 P78329 2/20 0.64
CYP4A11 Q02928 2/20 0.64
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 1/20 0.58
MAPT P10636 1/20 0.58
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
SLC7A5 Q01650 1/20 0.56
MRGPRX4 Q96LA9 2/20 0.52
FOLH1 Q04609 1/20 0.52
HIF1A Q16665 1/20 0.50
MEP1B Q16820 1/20 0.50
NR3C1 P04150 1/20 0.50
SENP1 Q9P0U3 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL4835879 0.86 LOXL2 (0.60) LOXL2CYP4F2CYP4A11ALDH1A1KDM4E
SCHEMBL10106423 0.85 LOXL2 (0.64) LOXL2CYP4F2CYP4A11ALDH1A1KDM4E
SCHEMBL27989651 0.85 LOXL2 (0.47) LOXL2CYP4F2CYP4A11ALDH1A1KDM4E
SCHEMBL16706893 0.84 LOXL2 (0.62) LOXL2CYP4F2CYP4A11ALDH1A1KDM4E
SCHEMBL16844982 0.84 MEP1B (0.65) CYP4F2CYP4A11ALDH1A1KDM4EMAPT
SCHEMBL24219815 0.83 MEP1B (0.51) LOXL2CYP4F2CYP4A11ALDH1A1KDM4E
SCHEMBL1318407 0.83 HSD17B2 (0.54) CYP4F2CYP4A11ALDH1A1KDM4EMAPT
SCHEMBL29592260 0.83 LOXL2 (0.70) LOXL2CYP4F2CYP4A11ALDH1A1KDM4E
SCHEMBL28212 0.83 LOXL2 (0.70) LOXL2CYP4F2CYP4A11ALDH1A1KDM4E
SCHEMBL29137828 0.83 SLC7A5 (0.59) LOXL2CYP4F2CYP4A11ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, LLC 2023-04-27 US disclosed
EP-3578562-B1 L-VALINATE AMIDE BENZOXABOROLE DERIVATIVES FOR THE TREATMENT OF PARASITIC DISEASES ANACOR PHARMACEUTICALS INC (US) 2021-06-23 EP disclosed
US-10882872-B2 Oxaborole esters and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2021-01-05 US disclosed
EP-3578562-A1 L-VALINATE AMIDE BENZOXABOROLE DERIVATIVES FOR THE TREATMENT OF PARASITIC DISEASES Anacor Pharmaceuticals, Inc (US) 2019-12-11 EP disclosed
WO-2017195069-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. (US) 2017-11-16 WO disclosed
US-20170327519-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. (US) 2017-11-16 US disclosed
US-8962667-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases Microdose Therapeutix, Inc. (US) 2015-02-24 US disclosed
US-8962667-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases Microdose Therapeutix, Inc. (US) 2015-02-24 US disclosed
CN-102985417-B Piperidin-4-yl azetidine derivatives as JAK1 inhibitors INCYTE CORP 2015-01-28 CN disclosed
US-20140363395-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES MICRODOSE THERAPEUTX INC (US) 2014-12-11 US disclosed
WO-2012027965-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-08 WO disclosed
EP-1342719-B1 Benzodiazepine derivatives useful as CCK-Receptor Antagonists FERRING BV (NL) 2011-04-13 EP disclosed
EP-1070708-B1 Triazole derivatives HOFFMANN LA ROCHE (CH) 2004-01-14 EP disclosed
EP-1342719-A1 Benzodiazepine derivatives useful as CCK-Receptor Antagonists YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-09-10 EP disclosed
US-6265426-B1 CENTRAL NERVOUS SYSTEM DISORDERS HOFFMANN-LA ROCHE INC. 2001-07-24 US disclosed
EP-1070708-A1 Triazole and imidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2001-01-24 EP disclosed
US-5962451-A GASTROINTESTINAL DISORDERS; ANTIULCER AGENT; ANTICANCER AGENTS; SIDE-EFFECT REDUCTION FERRING BV (NL) 1999-10-05 US disclosed
US-5688943-A CHOLECYSTOKININ ANTAGONIST; ANTIULCER AGENTS; PSYCHOLOGICAL DRUGS; ANXIOLYTIC AGENTS; CONTROLLING APPETITE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-11-18 US disclosed
EP-0628033-A1 BENZODIAZEPIN DERIVATIVES USEFUL AS CCK-RECEPTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1994-12-14 EP disclosed
WO-1993016999-A1 BENZODIAZEPIN DERIVATIVES USEFUL AS CCK-RECEPTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-09-02 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 (4 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-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 LOXL2 120/4885CYP4F2 230/4885CYP4A11 223/4885
US-10882872-B2 Oxaborole esters and uses thereof OXA1L, HSD17B12, OXER1 LOXL2 120/4885CYP4F2 230/4885CYP4A11 223/4885
US-20140363395-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES TTPA, HAVCR2, ZC3HAV1 LOXL2 2970/4885CYP4F2 1284/4885CYP4A11 707/4885
US-20170327519-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 LOXL2 120/4885CYP4F2 230/4885CYP4A11 223/4885

“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.