SCHEMBL3277563

SCHEMBL3277563

C[C@H](OS(C)(=O)=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CYP2C19 P33261 1/20 0.46
ACE2 Q9BYF1 1/20 0.45
JAK2 O60674 2/20 0.44
JAK1 P23458 2/20 0.44
TYK2 P29597 2/20 0.44
JAK3 P52333 2/20 0.44
BCL9 O00512 2/20 0.44
CTNNB1 P35222 2/20 0.44
F13A1 P00488 2/20 0.44
TGM2 P21980 2/20 0.44
TGM1 P22735 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PDE4B Q07343 1/20 0.43
DPP4 P27487 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
SCHEMBL3272972 1.00 LCK (0.49) LCKSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL3271543 1.00 LCK (0.49) LCKSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL3279139 1.00 LCK (0.49) LCKSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL30400669 0.94 SMN1; SMN2 (0.53) LCKSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL388349 0.88 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19F13A1
SCHEMBL17084106 0.85 SMN1; SMN2 (0.55) LCKSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL13059807 0.85 SMN1; SMN2 (0.55) LCKSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL16980450 0.85 SMN1; SMN2 (0.55) LCKSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL29333156 0.84 LCK (0.52) LCKSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL29333161 0.84 LCK (0.52) LCKSMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7692019-B2 Methods for the stereoselective synthesis of substituted piperidines SEPRACOR INC. (US) 2010-04-06 US disclosed
US-7692019-B2 Methods for the stereoselective synthesis of substituted piperidines SEPRACOR INC. (US) 2010-04-06 US disclosed
US-20060211864-A1 Methods for the stereoselective synthesis of substituted piperidines AQUILA BRIAN M 2006-09-21 US disclosed
US-7005524-B2 Methods for the stereoselective synthesis of substituted piperidines SEPRACOR INC. (US) 2006-02-28 US disclosed
US-20040235893-A1 Methods for the stereoselective synthesis of substituted piperidines AQUILA BRIAN M (US) 2004-11-25 US disclosed
US-6703508-B2 ANALGESICS SEPRACOR, INC. 2004-03-09 US disclosed
US-20020177721-A1 Methods for the stereoselective synthesis of substituted piperidines SEPRACOR INC. 2002-11-28 US 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-20040235893-A1 Methods for the stereoselective synthesis of substituted piperidines OPRK1, OPRL1, HTR5A LCK 2312/4885SMN1; SMN2 1250/4885NPC1 1093/4885
US-20060211864-A1 Methods for the stereoselective synthesis of substituted piperidines OPRK1, OPRL1, HTR5A LCK 2312/4885SMN1; SMN2 1250/4885NPC1 1093/4885
US-20020177721-A1 Methods for the stereoselective synthesis of substituted piperidines OPRK1, OPRL1, HTR5A LCK 2312/4885SMN1; SMN2 1250/4885NPC1 1093/4885

“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.