SCHEMBL3397905

SCHEMBL3397905

COCn1ccnc1C(=O)CC(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
PKM P14618 1/20 0.32
CYP2C19 P33261 1/20 0.32
OPRD1 P41143 1/20 0.32
ALPL P05186 2/20 0.31
ALPG P10696 2/20 0.31
ALPI P09923 1/20 0.31
PLAA Q9Y263 1/20 0.31
TP53 P04637 1/20 0.31
GFER P55789 1/20 0.31

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
SCHEMBL509064 0.85 CYP1A2 (0.40) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL27788621 0.84 CYP1A2 (0.36) RAB9ASMN1; SMN2NPC1ALDH1A1KMT2A
SCHEMBL3405493 0.82 DGAT1 (0.37) NPC1
SCHEMBL4670943 0.82 SMN1; SMN2 (0.37) RAB9ASMN1; SMN2NPC1ALDH1A1CYP1A2
SCHEMBL3400913 0.80 CYP1A2 (0.34) RAB9ASMN1; SMN2NPC1CYP1A2CYP3A4
SCHEMBL11536106 0.80 SMN1; SMN2 (0.41) RAB9ASMN1; SMN2NPC1CYP1A2CYP3A4
SCHEMBL5232129 0.79 SMN1; SMN2 (0.34) RAB9ASMN1; SMN2NPC1KMT2ACYP1A2
SCHEMBL13255594 0.79 CYP1A2 (0.33) RAB9ASMN1; SMN2NPC1CYP1A2CYP3A4
SCHEMBL509681 0.79 NAMPT (0.42) RAB9ASMN1; SMN2NPC1MEN1ALDH1A1
SCHEMBL4675474 0.75 ALDH1A1 (0.40) ALDH1A1CYP1A2TP53

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-2158199-B1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2010-11-17 EP disclosed
EP-2158199-B1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2010-11-17 EP disclosed
CN-101558066-A Pyrrole derivatives with antibacterial activity ASTRAZENECA AB (SE) 2009-10-14 CN disclosed
WO-2008152418-A1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2008-12-18 WO disclosed
US-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 ASTRAZENECA AB (SE) 2008-12-18 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 (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-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 NISCH, PIR, QDPR RAB9A 399/4885SMN1; SMN2 2282/4885NPC1 789/4885

“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.