SCHEMBL2804463

SCHEMBL2804463

O=C(O)CN(C(=O)OCc1ccccc1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
CYP2C19 P33261 1/20 0.53
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GRIN2B Q13224 4/20 0.46
HTT P42858 1/20 0.46
CCR5 P51681 4/20 0.46
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
HSD11B1 P28845 1/20 0.45
GPR119 Q8TDV5 1/20 0.45
PDE4B Q07343 1/20 0.44

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
SCHEMBL2804464 1.00 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL2806846 0.91 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL4016879 0.91 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL13205421 0.91 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL8171722 0.89 HTT (0.55) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL8044664 0.89 HTT (0.55) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL8172473 0.84 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL13012605 0.83 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL13012608 0.83 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL16094894 0.82 JAK2 (0.49) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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
US-8299271-B2 Solid tartrate salts of DPP-IV inhibitors PHENOMIX CORPORATION (US) 2012-10-30 US disclosed
US-20100323988-A1 SOLID CITRATE AND TARTRATE SALTS OF DPP-IV INHIBITORS PHENOMIX CORPORATION (US) 2010-12-23 US disclosed
US-20100240611-A1 METHODS FOR PREPARING DPP-IV INHIBITOR COMPOUNDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-09-23 US disclosed
US-20100240611-A1 METHODS FOR PREPARING DPP-IV INHIBITOR COMPOUNDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-09-23 US disclosed
US-20100240611-A1 METHODS FOR PREPARING DPP-IV INHIBITOR COMPOUNDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-09-23 US disclosed
WO-2010107809-A2 METHODS FOR PREPARING DPP-IV INHIBITOR COMPOUNDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-09-23 WO disclosed
WO-2010107809-A2 METHODS FOR PREPARING DPP-IV INHIBITOR COMPOUNDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-09-23 WO disclosed
US-7786312-B2 Methods of preparing heterocyclic boronic acids and derivatives thereof PHENOMIX CORPORATION (US) 2010-08-31 US disclosed
US-7786312-B2 Methods of preparing heterocyclic boronic acids and derivatives thereof PHENOMIX CORPORATION (US) 2010-08-31 US disclosed
US-20100204484-A1 CRYSTALLINE SYNTHETIC INTERMEDIATE FOR PREPARATION OF A DPP-IV INHIBITOR AND METHOD OF PURIFICATION THEREOF PHENOMIX CORPORATION (US) 2010-08-12 US disclosed
US-20100204484-A1 CRYSTALLINE SYNTHETIC INTERMEDIATE FOR PREPARATION OF A DPP-IV INHIBITOR AND METHOD OF PURIFICATION THEREOF PHENOMIX CORPORATION (US) 2010-08-12 US disclosed
US-20100087658-A1 METHODS AND INTERMEDIATES FOR SYNTHESIS OF SELECTIVE DPP-IV INHIBITORS PHENOMIX CORPORATION (US) 2010-04-08 US disclosed
US-20100087658-A1 METHODS AND INTERMEDIATES FOR SYNTHESIS OF SELECTIVE DPP-IV INHIBITORS PHENOMIX CORPORATION (US) 2010-04-08 US disclosed
WO-2009094462-A1 A CRYSTALLINE SYNTHETIC INTERMEDIATE FOR PYRROLIDIN-3-YL-GLYCYLAMINOALKYLBORONATES PHENOMIX CORPORATION (US) 2009-07-30 WO disclosed
WO-2009009751-A1 A CRYSTALLINE SYNTHETIC INTERMEDIATE FOR PREPARATION OF A DPP-IV INHIBITOR AND METHOD OF PURIFICATION THEREOF PHENOMIX CORPORATION (US) 2009-01-15 WO disclosed
US-20080300413-A1 Methods of Preparing Hetercyclic Boronic Acids and Derivatives Thereof SINO-MED INTERNATIONAL ALLIANCE, INC. 2008-12-04 US disclosed
US-20080300413-A1 Methods of Preparing Hetercyclic Boronic Acids and Derivatives Thereof SINO-MED INTERNATIONAL ALLIANCE, INC. 2008-12-04 US disclosed
WO-2008109681-A2 METHODS AND INTERMEDIATES FOR SYNTHESIS OF SELECTIVE DPP-IV INHIBITORS PHENOMIX CORPORATION (US) 2008-09-12 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-20100240611-A1 METHODS FOR PREPARING DPP-IV INHIBITOR COMPOUNDS DPP4, DPP3, DPP7 SMN1; SMN2 2316/4885NPC1 773/4885RAB9A 3449/4885
US-20080300413-A1 Methods of Preparing Hetercyclic Boronic Acids and Derivatives Thereof HLCS, NISCH, BTD SMN1; SMN2 2610/4885NPC1 1901/4885RAB9A 1324/4885
US-20100087658-A1 METHODS AND INTERMEDIATES FOR SYNTHESIS OF SELECTIVE DPP-IV INHIBITORS DPP4, DPP3, DPP7 SMN1; SMN2 3932/4885NPC1 2124/4885RAB9A 3854/4885
US-20100323988-A1 SOLID CITRATE AND TARTRATE SALTS OF DPP-IV INHIBITORS DPP4, DPP3, DPP7 SMN1; SMN2 4631/4885NPC1 3061/4885RAB9A 4422/4885
US-20100204484-A1 CRYSTALLINE SYNTHETIC INTERMEDIATE FOR PREPARATION OF A DPP-IV INHIBITOR AND METHOD OF PURIFICATION THEREOF DPP4, DPP7, DPP3 SMN1; SMN2 4669/4885NPC1 933/4885RAB9A 2855/4885

“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.