SCHEMBL797393

SCHEMBL797393

COCC1CCN(C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
RAB9A P51151 4/20 0.36
BRD4 O60885 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK14 Q16539 1/20 0.36
NPC1 O15118 2/20 0.36
KDM4E B2RXH2 1/20 0.35
TNF P01375 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
NOD1 Q9Y239 1/20 0.35

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
SCHEMBL15390149 0.90 RAB9A (0.40) KMT2AMEN1RAB9ANPC1
SCHEMBL2773399 0.90 RAB9A (0.40) KMT2AMEN1RAB9ANPC1
SCHEMBL4550273 0.84 CYP4F2 (0.41) KMT2AMEN1KDM4EMAPT
SCHEMBL6134733 0.83 ALDH1A1 (0.38) KMT2AMEN1RAB9AKDM4E
SCHEMBL19049584 0.82 KMT2A (0.39) KMT2AMEN1RAB9ANPC1KDM4E
SCHEMBL796623 0.82 ALDH1A1 (0.36)
SCHEMBL12396094 0.81 EPHX2 (0.46) KMT2AMEN1NPC1
SCHEMBL19601422 0.81 SMN1; SMN2 (0.49) KMT2AMEN1
SCHEMBL12522184 0.81 KMT2A (0.43) KMT2AMEN1RAB9ANPC1
SCHEMBL8222331 0.80 GAA (0.37) CYP2C9CYP2C19MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616465-B1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2015-11-04 EP disclosed
US-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 US disclosed
US-8895733-B2 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-11-25 US disclosed
US-20140051676-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-02-20 US disclosed
EP-2616465-A1 TRIAZINE-OXADIAZOLES Novartis AG (CH) 2013-07-24 EP disclosed
WO-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 WO disclosed
CN-100447140-C 7- ([1,4] di * alk-2-yl) -benzothiazole derivatives as adenosine receptor ligands HOFFMANN LA ROCHE (CH) 2008-12-31 CN disclosed
US-7273865-B2 Thiazolopyridine HOFFMANN-LA ROCHE INC. (US) 2007-09-25 US disclosed
EP-1615919-B1 7-([1,4]DIOXAN-2-YL)-BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2007-08-22 EP disclosed
CN-1871244-A Thiazolopyridine derivatives as adenosine receptor ligands HOFFMANN LA ROCHE (CH) 2006-11-29 CN disclosed
EP-1670805-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-21 EP disclosed
CN-1774437-A 7-([1,4]dioxan-2-yl)-benzothiazole derivatives as adenosine receptor ligands HOFFMANN LA ROCHE (CH) 2006-05-17 CN disclosed
EP-1615919-A1 7-([1,4]DIOXAN-2-YL)-BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2006-01-18 EP disclosed
WO-2005028484-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2005-03-31 WO disclosed
US-6872833-B2 Adenosine receptor ligands HOFFMANN-LA ROCHE INC. (US) 2005-03-29 US disclosed
US-20050065151-A1 Thiazolopyridine HOFFMANN-LA ROCHE INC. 2005-03-24 US disclosed
WO-2004089949-A1 7-([1,4]DIOXAN-2-YL)-BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-21 WO disclosed
US-20040204584-A1 ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-14 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-20150025057-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 KMT2A 3938/4885MEN1 4842/4885RAB9A 4766/4885
US-20040204584-A1 ADENOSINE RECEPTOR LIGANDS ADORA1, ADORA2A, ADORA3 KMT2A 2846/4885MEN1 2802/4885RAB9A 1366/4885
US-20050065151-A1 Thiazolopyridine ADORA2A, ADORA3, ADORA1 KMT2A 2943/4885MEN1 3673/4885RAB9A 2296/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 KMT2A 3938/4885MEN1 4842/4885RAB9A 4766/4885

“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.