SCHEMBL8044664

SCHEMBL8044664

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
CYP2C19 P33261 1/20 0.49
PDE4B Q07343 1/20 0.46
GRIN2B Q13224 4/20 0.45
CCR5 P51681 4/20 0.45
CYP2D6 P10635 3/20 0.44
CYP2C9 P11712 3/20 0.44
HSD11B1 P28845 1/20 0.44
PGR P06401 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
USP30 Q70CQ3 1/20 0.43
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
MMP7 P09237 1/20 0.43
MMP9 P14780 1/20 0.43

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
SCHEMBL8171722 1.00 HTT (0.55) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL13205421 0.89 SMN1; SMN2 (0.53) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL2804464 0.89 SMN1; SMN2 (0.55) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL2804463 0.89 SMN1; SMN2 (0.55) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL2363233 0.83 HTT (0.53) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL2806846 0.83 SMN1; SMN2 (0.47) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4016879 0.83 SMN1; SMN2 (0.47) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL13012605 0.82 SMN1; SMN2 (0.57) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL9237582 0.81 ENPP2 (0.50) HTTCCR5MEN1KMT2A
SCHEMBL24359316 0.81 SMN1; SMN2 (0.61) HTTSMN1; SMN2NPC1RAB9ACYP2C19

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 10 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-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-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
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 (3 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-20080300413-A1 Methods of Preparing Hetercyclic Boronic Acids and Derivatives Thereof HLCS, NISCH, BTD HTT 226/4885SMN1; SMN2 2610/4885NPC1 1901/4885
US-20100087658-A1 METHODS AND INTERMEDIATES FOR SYNTHESIS OF SELECTIVE DPP-IV INHIBITORS DPP4, DPP3, DPP7 HTT 3246/4885SMN1; SMN2 3932/4885NPC1 2124/4885
US-20100323988-A1 SOLID CITRATE AND TARTRATE SALTS OF DPP-IV INHIBITORS DPP4, DPP3, DPP7 HTT 2314/4885SMN1; SMN2 4631/4885NPC1 3061/4885

“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.