SCHEMBL3559837

SCHEMBL3559837

c1cnc2nc(N3CCCCC3)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 2/20 0.46
CNR2 P34972 5/20 0.46
ALDH1A1 P00352 1/20 0.42
MAP4K4 O95819 1/20 0.42
AURKA O14965 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
CXCR4 P61073 1/20 0.41

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
SCHEMBL31192169 1.00 PDE10A (0.48) PDE10ANPC1RAB9AKDM4ECNR2
SCHEMBL10509547 0.98 NPC1 (0.49) PDE10ANPC1RAB9AKDM4ECNR2
SCHEMBL5158090 0.95 NPC1 (0.49) PDE10ANPC1RAB9AKDM4ECNR2
SCHEMBL10509900 0.85 HTR2C (0.54) KDM4EALDH1A1
SCHEMBL10508746 0.83 NPC1 (0.45) PDE10ANPC1RAB9AKDM4ECNR2
SCHEMBL8588025 0.83 HTR3E (0.59) KDM4EALDH1A1
SCHEMBL10507905 0.83 GAA (0.54) PDE10ANPC1RAB9A
Cyclohexane SCHEMBL28067655 0.74 ALDH1A1 (0.48) NPC1RAB9AKDM4EALDH1A1MEN1
SCHEMBL23744098 0.73 PDE10A (0.48) PDE10AALDH1A1
SCHEMBL10508764 0.73 PDE10A (0.48) PDE10AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645776-B2 (R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone; carnitine-dependent palmitoyltransferases (CPTs); reduce liver beta -oxidation, consequently inhibit gluconeogenesis and therefore counteract hyperglycemia HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
US-20070129544-A1 (R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone; carnitine-dependent palmitoyltransferases (CPTs); reduce liver beta -oxidation, consequently inhibit gluconeogenesis and therefore counteract hyperglycemia F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 US disclosed
EP-0153580-B1 NAPHTHYRIDINE ANTIBACTERIAL COMPOUNDS ABBOTT LABORATORIES (US) 1989-01-25 EP 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-20070129544-A1 (R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone; carnitine-dependent palmitoyltransferases (CPTs); reduce liver beta -oxidation, consequently inhibit gluconeogenesis and therefore counteract hyperglycemia CPT1A, CPT1B, CPT2 PDE10A 2616/4885NPC1 301/4885RAB9A 4315/4885

“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.