SCHEMBL3272711

SCHEMBL3272711

O=C(OCc1ccccc1)N1CCC[C@@H](CO)C1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
CYP2C19 P33261 1/20 0.55
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
LCK P06239 1/20 0.51
GRIN2B Q13224 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
JAK2 O60674 2/20 0.49
JAK1 P23458 2/20 0.49
TYK2 P29597 2/20 0.49
JAK3 P52333 2/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
EPHX2 P34913 1/20 0.48
PDE4B Q07343 1/20 0.47

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
SCHEMBL1320424 1.00 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL3277927 1.00 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL5870802 0.96 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL3444915 0.92 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL541346 0.92 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL100555 0.92 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL7700888 0.90 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL6773162 0.90 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL1843950 0.90 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL17063347 0.90 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210040062-A1 AZOLE-SUBSTITUTED PYRIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2021-02-11 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-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 (4 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 SMN1; SMN2 1250/4885NPC1 1093/4885RAB9A 2730/4885
US-20060211864-A1 Methods for the stereoselective synthesis of substituted piperidines OPRK1, OPRL1, HTR5A SMN1; SMN2 1250/4885NPC1 1093/4885RAB9A 2730/4885
US-20020177721-A1 Methods for the stereoselective synthesis of substituted piperidines OPRK1, OPRL1, HTR5A SMN1; SMN2 1250/4885NPC1 1093/4885RAB9A 2730/4885
US-20210040062-A1 AZOLE-SUBSTITUTED PYRIDINE COMPOUND CYP2F1, CYP21A2, CYP11B1 SMN1; SMN2 4769/4885NPC1 2814/4885RAB9A 3030/4885

“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.