SCHEMBL910269

SCHEMBL910269

O=C(O)CCOC(=O)Nc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.65
RAB9A P51151 4/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
TSHR P16473 1/20 0.65
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
RECQL P46063 1/20 0.63
NPSR1 Q6W5P4 2/20 0.59
LMNA P02545 3/20 0.56
TP53 P04637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.51
MGLL Q99685 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CHRNA7 P36544 1/20 0.51
PPARA Q07869 1/20 0.50
PTGIR P43119 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
SCHEMBL415618 0.86 NPC1 (0.61) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL10597471 0.85 RAB9A (0.77) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL19678519 0.84 NPC1 (0.47) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL8211105 0.84 PKM (0.53) NPC1RAB9ASMN1; SMN2TSHRKMT2A
SCHEMBL10817231 0.83 RAB9A (0.75) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL12459868 0.83 NPC1 (0.67) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL17263428 0.83 RAB9A (0.75) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL17346621 0.83 NPC1 (0.72) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL10596423 0.83 NPC1 (0.72) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL2317558 0.83 NPC1 (0.58) NPC1RAB9ASMN1; SMN2TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2260029-B1 PREPARATION OF MORPHOLINE DERIVATIVES SANDOZ AG (CH) 2014-10-01 EP claimed
US-20110009629-A1 PREPARATION OF MORPHOLINE DERIVATIVES SANDOZ AG (CH) 2011-01-13 US claimed
EP-2260029-A1 PREPARATION OF MORPHOLINE DERIVATIVES Sandoz AG (CH) 2010-12-15 EP claimed
WO-2009106486-A1 PREPARATION OF MORPHOLINE DERIVATIVES SANDOZ AG (CH) 2009-09-03 WO claimed
WO-2016021192-A1 PROCESS FOR PRODUCTION OF (S)-(TETRAHYDROFURAN-3-YL)HYDRAZINE EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-02-11 WO disclosed
US-20140350301-A1 NOVEL PROCESSES FOR THE PREPARATION OF PHENYLCYCLOPROPYLAMINE DERIVATIVES AND USE THEREOF FOR PREPARING TICAGRELOR ACTAVIS GROUP PTC EHF (IS) 2014-11-27 US disclosed
US-20140323727-A1 NOVEL PROCESS FOR PREPARING PHENYLCYCLOPROPYLAMINE DERIVATIVES USING NOVEL INTERMEDIATES ACTAVIS GROUP PTC EHF (IS) 2014-10-30 US disclosed
EP-2260029-B1 PREPARATION OF MORPHOLINE DERIVATIVES SANDOZ AG (CH) 2014-10-01 EP disclosed
US-20130317220-A1 NOVEL PROCESSES FOR PREPARING TRIAZOLO[4, 5-d]PYRIMIDINE DERIVATIVES AND INTERMEDIATES THEREOF ACTAVIS GROUP PTC EHF (IS) 2013-11-28 US disclosed
EP-2655341-A2 NOVEL PROCESSES FOR PREPARING TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES AND INTERMEDIATES THEREOF Actavis Group Ptc Ehf (IS) 2013-10-30 EP disclosed
US-20130165696-A1 NOVEL PROCESSES FOR THE PREPARATION OF PHENYLCYCLOPROPYLAMINE DERIVATIVES AND USE THEREOF FOR PREPARING TICAGRELOR ACTAVIS GROUP PTC EHF (IS) 2013-06-27 US disclosed
US-20130150577-A1 NOVEL PROCESS FOR PREPARING PHENYLCYCLOPROPYLAMINE DERIVATIVES USING NOVEL INTERMEDIATES ACTAVIS GROUP PTC EHF (IS) 2013-06-13 US disclosed
WO-2012001531-A2 NOVEL PROCESSES FOR THE PREPARATION OF PHENYLCYCLOPROPYLAMINE DERIVATIVES AND USE THEREOF FOR PREPARING TICAGRELOR ACTAVIS GROUP PTC EHF (IS) 2012-01-05 WO disclosed
WO-2011132083-A2 NOVEL PROCESS FOR PREPARING PHENYLCYCLOPROPYLAMINE DERIVATIVES USING NOVEL INTERMEDIATES ACTAVIS GROUP PTC EHF (IS) 2011-10-27 WO disclosed
US-20110009629-A1 PREPARATION OF MORPHOLINE DERIVATIVES SANDOZ AG (CH) 2011-01-13 US disclosed
EP-2260029-A1 PREPARATION OF MORPHOLINE DERIVATIVES Sandoz AG (CH) 2010-12-15 EP disclosed
WO-2009106486-A1 PREPARATION OF MORPHOLINE DERIVATIVES SANDOZ AG (CH) 2009-09-03 WO disclosed
US-20080287695-A1 Agent For Optical Resolution, Process For Producing Optically Active Substance and 1,5-Substituted Bicyclo [3.3.0] -2-Oxaoctane Compound ZEON CORPORATION (JP) 2008-11-20 US disclosed
EP-1719746-A1 OPTICAL RESOLVER, PROCESS FOR PRODUCING OPTICALLY ACTIVE ISOMER, AND 1,5-SUBSTITUTED BICYCLO (3.3.0) -2-OXAOCTANE COMPOUND ZEON CORPORATION (JP) 2006-11-08 EP disclosed
US-5746840-A Process for preparing enantiomerically pure 6-{4-chlorophenyl) (1 H-1,2,4-triazol-1-YL) methyl}-1-methyl-1 H-benzotriazole JANSSEN PHARMACEUTICA, N.V. (BE) 1998-05-05 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-20080287695-A1 Agent For Optical Resolution, Process For Producing Optically Active Substance and 1,5-Substituted Bicyclo [3.3.0] -2-Oxaoctane Compound ALDH1A2, OXER1, HCRTR1 NPC1 3561/4885RAB9A 894/4885SMN1; SMN2 3669/4885
US-20130317220-A1 NOVEL PROCESSES FOR PREPARING TRIAZOLO[4, 5-d]PYRIMIDINE DERIVATIVES AND INTERMEDIATES THEREOF TBXAS1, TBXA2R, THPO NPC1 3108/4885RAB9A 1321/4885SMN1; SMN2 3167/4885
US-20110009629-A1 PREPARATION OF MORPHOLINE DERIVATIVES OPRK1, TACR1, CMA1 NPC1 2902/4885RAB9A 2855/4885SMN1; SMN2 1371/4885
US-20140350301-A1 NOVEL PROCESSES FOR THE PREPARATION OF PHENYLCYCLOPROPYLAMINE DERIVATIVES AND USE THEREOF FOR PREPARING TICAGRELOR THPO, P2RY4, TBXA2R NPC1 1185/4885RAB9A 1117/4885SMN1; SMN2 3206/4885
US-20140323727-A1 NOVEL PROCESS FOR PREPARING PHENYLCYCLOPROPYLAMINE DERIVATIVES USING NOVEL INTERMEDIATES THPO, P2RY4, TPMT NPC1 959/4885RAB9A 1075/4885SMN1; SMN2 2194/4885
US-20130150577-A1 NOVEL PROCESS FOR PREPARING PHENYLCYCLOPROPYLAMINE DERIVATIVES USING NOVEL INTERMEDIATES THPO, P2RY4, TPMT NPC1 959/4885RAB9A 1075/4885SMN1; SMN2 2194/4885
US-20130165696-A1 NOVEL PROCESSES FOR THE PREPARATION OF PHENYLCYCLOPROPYLAMINE DERIVATIVES AND USE THEREOF FOR PREPARING TICAGRELOR THPO, P2RY4, TBXA2R NPC1 1185/4885RAB9A 1117/4885SMN1; SMN2 3206/4885

“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.