SCHEMBL3276669

SCHEMBL3276669

C[C@@H](Nc1ccccc1)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CYP2C19 P33261 1/20 0.47
PPARG P37231 1/20 0.46
DPP4 P27487 1/20 0.46
KCNH2 Q12809 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
HTT P42858 1/20 0.46
JAK2 O60674 2/20 0.46
JAK1 P23458 2/20 0.46
TYK2 P29597 2/20 0.46
JAK3 P52333 2/20 0.46
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
GRIN2B Q13224 2/20 0.45
XIAP P98170 1/20 0.45
BIRC2 Q13490 1/20 0.45
CYP3A4 P08684 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
SCHEMBL3271587 1.00 LCK (0.61) LCKSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL13400114 1.00 LCK (0.61) LCKSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL3279406 1.00 LCK (0.61) LCKSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL3272471 1.00 LCK (0.61) LCKSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL13400113 1.00 LCK (0.61) LCKSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL13400095 1.00 LCK (0.61) LCKSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL7506131 0.86 SMN1; SMN2 (0.54) LCKSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL13059807 0.86 SMN1; SMN2 (0.55) LCKSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL17084106 0.86 SMN1; SMN2 (0.55) LCKSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL16980450 0.86 SMN1; SMN2 (0.55) 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 8 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-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.