SCHEMBL4439124

SCHEMBL4439124

O=C(O)c1ccc2c(c1)CC(=O)N2C1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.49
KCNH2 Q12809 3/20 0.48
HSD11B1 P28845 1/20 0.48
OPRM1 P35372 1/20 0.47
OPRK1 P41145 1/20 0.47
OPRL1 P41146 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CHRM4 P08173 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
GRIN2B Q13224 1/20 0.43
HTT P42858 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
SCHEMBL4436923 0.91 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ATSHRCYP2C19
SCHEMBL4437955 0.90 HDAC1 (0.48) SMN1; SMN2NPC1RAB9ATSHRCYP2C19
SCHEMBL14008527 0.85 KCNH2 (0.49) SMN1; SMN2NPC1RAB9ATSHRCYP2C19
SCHEMBL4433063 0.83 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ACYP2C19KCNH2
SCHEMBL14008531 0.81 HSD11B1 (0.48) SMN1; SMN2NPC1RAB9ATSHRCYP2C19
SCHEMBL14008525 0.81 KCNH2 (0.46) SMN1; SMN2NPC1RAB9ATSHRCYP2C19
SCHEMBL4436311 0.79 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19KCNH2
SCHEMBL4445741 0.78 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9ACYP2C19KCNH2
SCHEMBL3415758 0.77 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19HDAC1
SCHEMBL30550094 0.75 L3MBTL1 (0.74) SMN1; SMN2NPC1RAB9ATSHRCYP2C19

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-2121656-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE Pfizer Products Inc. (US) 2009-11-25 EP disclosed
US-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER INC 2008-11-20 US disclosed
US-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER INC 2008-11-20 US disclosed
US-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER INC 2008-11-20 US disclosed
WO-2008084300-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER PRODUCTS INC. (US) 2008-07-17 WO disclosed
WO-2008084300-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER PRODUCTS INC. (US) 2008-07-17 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-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE SPTLC1, SPTLC2, CPT1A SMN1; SMN2 1145/4885NPC1 268/4885RAB9A 3378/4885

“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.