SCHEMBL16639869

SCHEMBL16639869

N#CC1(c2ccccc2)CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
OPRD1 P41143 2/20 0.53
OPRK1 P41145 1/20 0.53
CHRM4 P08173 1/20 0.52
CYP2C19 P33261 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
CA7 P43166 1/20 0.50

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
SCHEMBL3278422 0.87 CA12 (0.56) OPRM1CA12CA1CA2CA9
SCHEMBL31567126 0.85 OPRD1 (0.49) OPRM1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL1290934 0.83 MEN1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL2082902 0.83 MEN1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2CA1
SCHEMBL1290587 0.82 MEN1 (0.54) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL8824367 0.81 OPRD1 (0.53) OPRM1SMN1; SMN2CA12CA1CA2
SCHEMBL7556949 0.81 CHRM4 (0.61) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL3706424 0.81 MEN1 (0.53) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL25279323 0.80 OPRK1 (0.47) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL56293 0.80 OPRD1 (0.58) OPRM1MEN1KMT2ANPSR1SMN1; SMN2

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
EP-3362445-B1 OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2023-01-25 EP disclosed
CN-108699048-B Oxadiazolamide derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same 株式会社钟根堂 2021-12-28 CN disclosed
US-20180273495-A1 OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2018-09-27 US disclosed
EP-3362445-A1 OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2018-08-22 EP disclosed
WO-2017065473-A1 OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-04-20 WO disclosed
WO-2017065473-A1 OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-04-20 WO disclosed
US-20160279128-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS ACETYLON PHARMACEUTICALS, INC. 2016-09-29 US disclosed
US-20160279128-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS ACETYLON PHARMACEUTICALS, INC. 2016-09-29 US disclosed
US-20160137630-A1 INDUCTION OF GATA2 BY HDAC1 AND HDAC2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2016-05-19 US disclosed
US-20160137630-A1 INDUCTION OF GATA2 BY HDAC1 AND HDAC2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2016-05-19 US disclosed
US-9278963-B2 Pyrimidine hydroxy amide compounds as histone deacetylase inhibitors ACETYLON PHARMACEUTICALS, INC. (US) 2016-03-08 US disclosed
US-9278963-B2 Pyrimidine hydroxy amide compounds as histone deacetylase inhibitors ACETYLON PHARMACEUTICALS, INC. (US) 2016-03-08 US disclosed
US-20150105384-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS ACETYLON PHARMACEUTICALS, INC. (US) 2015-04-16 US disclosed
WO-2015054474-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS ACETYLON PHARMACEUTICALS, INC. (US) 2015-04-16 WO disclosed
US-20150105384-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS ACETYLON PHARMACEUTICALS, INC. (US) 2015-04-16 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 (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-20160137630-A1 INDUCTION OF GATA2 BY HDAC1 AND HDAC2 INHIBITORS GATAD2B, GATAD2A, HDAC2 OPRM1 4270/4885MEN1 3608/4885KMT2A 62/4885
US-20160279128-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC2 OPRM1 4809/4885MEN1 4340/4885KMT2A 154/4885
US-20150105384-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC2 OPRM1 4809/4885MEN1 4340/4885KMT2A 154/4885
US-20180273495-A1 OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC6, HDAC2 OPRM1 4105/4885MEN1 3928/4885KMT2A 65/4885

“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.