SCHEMBL2354166

SCHEMBL2354166

C=C(C(=O)OCC)C1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.67
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
CYP2C19 P33261 1/20 0.64
HTT P42858 2/20 0.60
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ENPP2 Q13822 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
ALDH1A1 P00352 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
GRIN2B Q13224 2/20 0.49
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CCR6 P51684 1/20 0.48
BRD4 O60885 1/20 0.48

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
SCHEMBL4671484 0.93 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL4671331 0.88 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL6350413 0.86 SMN1; SMN2 (0.75) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL25062330 0.86 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL630697 0.85 SMN1; SMN2 (0.73) SMN1; SMN2NPC1RAB9ACYP2C19HTT
Hydrochloric Acid SCHEMBL2709667 0.82 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL7658562 0.82 L3MBTL1 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL5752708 0.81 SMN1; SMN2 (0.75) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL1162669 0.81 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL1507267 0.81 NPC1 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319366-A1 Plasma Carboxypeptidase B Inhibitors BUCKMAN BRAD (US) 2011-12-29 US disclosed
US-8008325-B2 Plasma carboxypeptidase B inhibitors BAYER SCHERING PHARMA AG (DE) 2011-08-30 US disclosed
EP-2204373-A1 Phosphonic acid as Plasma Carboxypeptidase B Inhibitors Bayer Schering Pharma Aktiengesellschaft (DE) 2010-07-07 EP disclosed
US-7528173-B2 Plasma carboxypeptidase B inhibitors SCHERING AKTIENGESELLSHAFT (DE) 2009-05-05 US disclosed
US-20090093520-A1 PLASMA CARBOXYPEPTIDASE B INHIBITORS BUCKMAN BRAD 2009-04-09 US disclosed
US-20060247213-A1 Plasma carboxypeptidase b inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-11-02 US disclosed
EP-1497300-A2 PLASMA CARBOXYPEPTIDASE B INHIBITORS Schering Aktiengesellschaft (DE) 2005-01-19 EP disclosed
WO-2003080631-A2 PLASMA CARBOXYPEPTIDASE B INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-02 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-20110319366-A1 Plasma Carboxypeptidase B Inhibitors CPB1, CPB2, CPA1 SMN1; SMN2 4113/4885NPC1 1299/4885RAB9A 2032/4885
US-20090093520-A1 PLASMA CARBOXYPEPTIDASE B INHIBITORS CPB1, CPB2, CPA1 SMN1; SMN2 4113/4885NPC1 1299/4885RAB9A 2032/4885
US-20060247213-A1 Plasma carboxypeptidase b inhibitors CPB1, CPB2, CPA1 SMN1; SMN2 4015/4885NPC1 1163/4885RAB9A 1966/4885

“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.