SCHEMBL1506733

SCHEMBL1506733

CCC(=O)Nc1nc2c(s1)C[C@H](C(=O)O)CC2

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
NPC1 O15118 4/20 0.57
PDK1 Q15118 2/20 0.54
MAPT P10636 6/20 0.51
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 5/20 0.49
TP53 P04637 4/20 0.49
KDM4E B2RXH2 1/20 0.48
LMNA P02545 3/20 0.47
HTT P42858 1/20 0.47
POLB P06746 2/20 0.47
THRB P10828 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
GCK P35557 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL1031919 1.00 RAB9A (0.57) RAB9ASMN1; SMN2NPC1PDK1MAPT
SCHEMBL1031917 1.00 RAB9A (0.57) RAB9ASMN1; SMN2NPC1PDK1MAPT
SCHEMBL1032097 0.89 RAB9A (0.56) RAB9ASMN1; SMN2NPC1PDK1MAPT
SCHEMBL1030466 0.85 PDK1 (0.64) RAB9ASMN1; SMN2NPC1PDK1MAPT
SCHEMBL1506579 0.85 PDK1 (0.58) RAB9ASMN1; SMN2NPC1PDK1MAPT
SCHEMBL1028051 0.85 PDK1 (0.58) RAB9ASMN1; SMN2NPC1PDK1MAPT
SCHEMBL1028052 0.85 PDK1 (0.58) RAB9ASMN1; SMN2NPC1PDK1MAPT
SCHEMBL1028901 0.83 PDK1 (0.53) RAB9ASMN1; SMN2NPC1PDK1MAPT
SCHEMBL28424830 0.82 NPC1 (0.54) RAB9ASMN1; SMN2NPC1
SCHEMBL1076278 0.81 RAB9A (0.51) RAB9ASMN1; SMN2NPC1MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2289885-A1 Intermediates for the preparation of pramipexole Dipharma Francis S.r.l. (IT) 2011-03-02 EP claimed
US-20070191439-A1 Intermediates for the preparation of pramipexole DIPHARMA S.P.A. (IT) 2007-08-16 US claimed
EP-1730129-A2 INTERMEDIATES FOR THE PREPARATION OF PRAMIPEXOLE Dipharma S.p.A. (IT) 2006-12-13 EP claimed
WO-2005092871-A2 INTERMEDIATES FOR THE PREPARATION OF PRAMIPEXOLE DIPHARMA S.P.A. (IT) 2005-10-06 WO claimed
US-20120253047-A1 PROCESS FOR THE PREPARATION OF (R)-PRAMIPEXOLE DIPHARMA S.P.A. (IT) 2012-10-04 US disclosed
US-8203002-B2 Intermediates for the preparation of pramipexole DIPHARMA S.P.A. (IT) 2012-06-19 US disclosed
EP-2289885-A1 Intermediates for the preparation of pramipexole Dipharma Francis S.r.l. (IT) 2011-03-02 EP disclosed
US-20100222595-A1 INTERMEDIATES FOR THE PREPARATION OF PRAMIPEXOLE DIPHARMA S.P.A. (IT) 2010-09-02 US disclosed
US-7741490-B2 Intermediates for the preparation of pramipexole DIPHARMA S.P.A. (IT) 2010-06-22 US disclosed
US-20070191439-A1 Intermediates for the preparation of pramipexole DIPHARMA S.P.A. (IT) 2007-08-16 US disclosed
EP-1730129-A2 INTERMEDIATES FOR THE PREPARATION OF PRAMIPEXOLE Dipharma S.p.A. (IT) 2006-12-13 EP disclosed
WO-2005092871-A2 INTERMEDIATES FOR THE PREPARATION OF PRAMIPEXOLE DIPHARMA S.P.A. (IT) 2005-10-06 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-20100222595-A1 INTERMEDIATES FOR THE PREPARATION OF PRAMIPEXOLE CYP11B2, CYP11B1, CYP4A11 RAB9A 3119/4885SMN1; SMN2 1155/4885NPC1 1798/4885
US-20120253047-A1 PROCESS FOR THE PREPARATION OF (R)-PRAMIPEXOLE DPP4, DNPEP, PNMT RAB9A 1726/4885SMN1; SMN2 1054/4885NPC1 2209/4885
US-20070191439-A1 Intermediates for the preparation of pramipexole CYP11B2, CYP11B1, CYP4A11 RAB9A 3119/4885SMN1; SMN2 1155/4885NPC1 1798/4885

“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.