Sugi Predict

Sugi Predict / Compounds / SCHEMBL56293

SCHEMBL56293

SCHEMBL56293

NC1(c2ccccc2)CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 2/20 0.58
▸ OPRK1 P41145 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ NPC1 O15118 3/20 0.57
▸ RAB9A P51151 3/20 0.57
▸ HDAC3 O15379 2/20 0.53
▸ HDAC1 Q13547 2/20 0.53
▸ HDAC2 Q92769 2/20 0.53
▸ HDAC6 Q9UBN7 2/20 0.53
▸ KDM1A O60341 2/20 0.50
▸ NOS2 P35228 1/20 0.50
▸ ENPP2 Q13822 1/20 0.48
▸ ATXN2 Q99700 1/20 0.48
▸ OPRM1 P35372 1/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ JAK1 P23458 1/20 0.47

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
Hydrochloric Acid SCHEMBL18742622 0.99 OPRD1 (0.57) OPRD1OPRK1MEN1KMT2ANPSR1
SCHEMBL16042582 0.91 RORC (0.57) OPRD1OPRK1MEN1KMT2ANPSR1
SCHEMBL29087280 0.88 MEN1 (0.52) OPRD1OPRK1MEN1KMT2ANPSR1
Hydrochloric Acid SCHEMBL27225723 0.87 MEN1 (0.51) OPRD1OPRK1MEN1KMT2ANPSR1
SCHEMBL19331055 0.86 MEN1 (0.54) OPRD1OPRK1MEN1KMT2ANPSR1
SCHEMBL22874143 0.86 APP (0.56) OPRD1OPRK1OPRM1L3MBTL1
SCHEMBL29087323 0.85 OPRK1 (0.51) OPRD1OPRK1MEN1KMT2ANPSR1
SCHEMBL3901441 0.85 SMN1; SMN2 (0.49) OPRD1OPRK1MEN1KMT2ANPSR1
SCHEMBL2876027 0.85 OPRD1 (0.48) OPRD1OPRK1MEN1KMT2ANPSR1
SCHEMBL4164137 0.85 NOS2 (0.49) OPRD1OPRK1MEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 — — US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 — — EP disclosed
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 — — US disclosed
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 — — US disclosed
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 — — US disclosed
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 — — US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 — — US disclosed
CN-101365680-A 3, 5-substituted piperidine compounds as renin inhibitors NOVARTIS AG (CH) 2009-02-11 — — CN disclosed
EP-1968940-A1 3 , 5-SUBSTITUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS Novartis AG (CH) 2008-09-17 — — EP disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 — — 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 (5 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 OPRD1 2870/4885OPRK1 3570/4885MEN1 3608/4885
US-20160279128-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC2 OPRD1 4729/4885OPRK1 4697/4885MEN1 4340/4885
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 OPRD1 55/4885OPRK1 92/4885MEN1 2336/4885
US-20150105384-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC2 OPRD1 4729/4885OPRK1 4697/4885MEN1 4340/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 OPRD1 2240/4885OPRK1 513/4885MEN1 3501/4885

“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.