SCHEMBL994668

SCHEMBL994668

CC(C)(C)OC(=O)N1CC=CC(NOCc2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.43
GPR119 Q8TDV5 2/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
NAMPT P43490 1/20 0.41
USP30 Q70CQ3 3/20 0.41
YAP1 P46937 2/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ACHE P22303 1/20 0.39
RORC P51449 1/20 0.38
TACR1 P25103 1/20 0.38

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
SCHEMBL28950529 0.86 STS (0.43) STSUSP30GAASMN1; SMN2MEN1
SCHEMBL1250759 0.85 NPC1 (0.39) NAMPTSMN1; SMN2MEN1KMT2A
SCHEMBL995183 0.78 NR1H2 (0.36) GPR119KDM4EPKMNAMPTUSP30
SCHEMBL994681 0.76 USP30 (0.60) STSGPR119JAK2JAK1KDM4E
SCHEMBL18655393 0.76 USP30 (0.60) STSGPR119JAK2JAK1KDM4E
SCHEMBL26470310 0.74 NAMPT (0.58) STSGPR119JAK2JAK1KDM4E
SCHEMBL21641290 0.74 STS (0.52) STSGPR119JAK2JAK1KDM4E
SCHEMBL6095209 0.73 JAK2 (0.53) STSGPR119JAK2JAK1NAMPT
SCHEMBL30993456 0.73 JAK2 (0.53) STSGPR119JAK2JAK1NAMPT
SCHEMBL31288410 0.73 JAK2 (0.53) STSGPR119JAK2JAK1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178554-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents ALLERGAN PHARMACEUTICALS INTERNATIONAL LIMITED (IE) 2012-05-15 US disclosed
US-20110245254-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-06 US disclosed
US-20110213147-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents AVENTIS PHARMA S.A. 2011-09-01 US disclosed
US-20110021772-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents AVENTIS PHARMA S.A. 2011-01-27 US disclosed
US-7732610-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents AVENTIS PHARMA S.A. (FR) 2010-06-08 US disclosed
US-20100048528-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES NOVEXEL (FR) 2010-02-25 US disclosed
US-7638529-B2 anti-bacterial agents; staphylococci; coliform bacteria; 7-oxo-6-(sulphooxy)-1,6-diazabicyclo[3,2,1]octane-2-carboxamide; bridged bicyclic ureas or carbamates having bridgehead nitrogen AVENTIS PHARMA S.A. (FR) 2009-12-29 US disclosed
US-7612087-B2 Therapy for bacteria infections NOVEXEL (FR) 2009-11-03 US disclosed
US-20090215747-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES AVENTIS PHARMA S.A. (FR) 2009-08-27 US disclosed
US-7112592-B2 topical bactericides and disinfectants for surgical instruments; staphylococci; coliform bacteria; 7-oxo-6-(sulphooxy)-1,6-diazabicyclo[3,2,1]octane-2-carboxamide; bridged bicyclic ureas or carbamates having bridgehead nitrogen AVENTIS PHARMA S.A. (FR) 2006-09-26 US disclosed
US-20060189652-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents AVENTIS PHARMA S.A. 2006-08-24 US disclosed
US-20050020572-A1 Heterocyclic compounds as inhibitors of beta-lactamases AVENTIS PHARMA S.A. (FR) 2005-01-27 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 (7 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-20110245254-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES BACE1, GAA, CEL STS 44/4885GPR119 3766/4885JAK2 3292/4885
US-20110213147-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA STS 1214/4885GPR119 4343/4885JAK2 2370/4885
US-20100048528-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES BACE1, GAA, CEL STS 44/4885GPR119 3766/4885JAK2 3292/4885
US-20060189652-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA STS 1214/4885GPR119 4343/4885JAK2 2370/4885
US-20050020572-A1 Heterocyclic compounds as inhibitors of beta-lactamases BACE1, GAA, CEL STS 44/4885GPR119 3766/4885JAK2 3292/4885
US-20110021772-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA STS 1214/4885GPR119 4343/4885JAK2 2370/4885
US-20090215747-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES BACE1, GAA, CEL STS 44/4885GPR119 3766/4885JAK2 3292/4885

“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.