SCHEMBL10059189

SCHEMBL10059189

N[C@H](CC(=O)N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
CYP2C19 P33261 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
CACNA1G O43497 1/20 0.44
DPP7 Q9UHL4 2/20 0.43
IDO1 P14902 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
KCNH2 Q12809 1/20 0.38
GRIN2B Q13224 3/20 0.38
HTT P42858 1/20 0.38
FABP7 O15540 1/20 0.38
FABP5 Q01469 1/20 0.38
POLB P06746 1/20 0.38
CYP2D6 P10635 1/20 0.37

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
SCHEMBL19390314 1.00 DPP4 (0.47) DPP4SMN1; SMN2CYP2C19NPC1RAB9A
SCHEMBL7029573 0.83 L3MBTL1 (0.60) DPP4SMN1; SMN2CYP2C19NPC1RAB9A
SCHEMBL22397770 0.79 POLB (0.52) SMN1; SMN2KMT2AMEN1NPSR1L3MBTL1
SCHEMBL13327274 0.79 POLB (0.52) SMN1; SMN2KMT2AMEN1NPSR1L3MBTL1
SCHEMBL4676752 0.78 SMN1; SMN2 (0.51) SMN1; SMN2CYP2C19NPC1RAB9AKMT2A
SCHEMBL10059185 0.78 DPP7 (0.51) DPP4SMN1; SMN2CYP2C19NPC1RAB9A
SCHEMBL19390302 0.78 DPP7 (0.51) DPP4SMN1; SMN2CYP2C19NPC1RAB9A
SCHEMBL3219970 0.77 FABP5 (0.49) SMN1; SMN2NPC1RAB9ACACNA1GKMT2A
SCHEMBL10059188 0.76 MEN1 (0.61) DPP4SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL19390153 0.76 MEN1 (0.61) DPP4SMN1; SMN2NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655399-B1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, THEIR PREPARATION AND USE AS SELECTIVE INHIBITORS OF THE CLOTTING FACTORS IIA AND XA THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2017-09-27 EP disclosed
US-8497245-B2 Trypsin-like serine protease inhibitors, their preparation and use as selective inhibitors of the clotting factors IIa and Xa THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2013-07-30 US disclosed
US-8497245-B2 Trypsin-like serine protease inhibitors, their preparation and use as selective inhibitors of the clotting factors IIa and Xa THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2013-07-30 US disclosed
US-20120252743-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, THEIR PREPARATION AND USE AS SELECTIVE INHIBITORS OF THE CLOTTING FACTORS IIA AND XA THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2012-10-04 US disclosed
US-20120252743-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, THEIR PREPARATION AND USE AS SELECTIVE INHIBITORS OF THE CLOTTING FACTORS IIA AND XA THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2012-10-04 US disclosed
WO-2012083436-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, THEIR PREPARATION AND USE AS SELECTIVE INHIBITORS OF THE CLOTTING FACTORS IIA AND XA THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2012-06-28 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 (1 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-20120252743-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, THEIR PREPARATION AND USE AS SELECTIVE INHIBITORS OF THE CLOTTING FACTORS IIA AND XA F2, F12, SERPINC1 DPP4 895/4885SMN1; SMN2 2988/4885CYP2C19 625/4885

“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.