SCHEMBL3542902

SCHEMBL3542902

O=C(O)C(c1cc[c]cc1)C1CCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1E P28566 3/20 0.44
S1PR3 Q99500 3/20 0.44
LMNA P02545 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
CHRM3 P20309 4/20 0.41
ALOX5 P09917 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HTT P42858 1/20 0.38
CYP3A4 P08684 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
TSHR P16473 2/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD1 P21728 1/20 0.36
SLC6A2 P23975 1/20 0.36

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
SCHEMBL67619 0.83 HTR1E (0.60) HTR1ES1PR3LMNAMEN1KMT2A
SCHEMBL28622389 0.79 HTR1E (0.65) HTR1ES1PR3LMNAMEN1KMT2A
SCHEMBL69127 0.79 HTR1E (0.65) HTR1ES1PR3LMNAMEN1KMT2A
SCHEMBL17847024 0.79 HTR1E (0.44) HTR1ES1PR3LMNAMEN1KMT2A
SCHEMBL12531975 0.78 HTR1E (0.63) HTR1ES1PR3LMNAMEN1KMT2A
SCHEMBL67219 0.78 HTR1E (0.63) HTR1ES1PR3LMNAMEN1KMT2A
SCHEMBL3539654 0.78 SLC6A3 (0.48) HTR1ES1PR3LMNACYP3A4CYP1A2
Hydrochloric Acid SCHEMBL11526873 0.76 HTR1E (0.61) HTR1ES1PR3LMNAMEN1KMT2A
SCHEMBL1570220 0.76 HTR1E (0.35) HTR1ES1PR3LMNAMEN1KMT2A
SCHEMBL4242909 0.76 ALOX5 (0.49) HTR1ES1PR3LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US claimed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 US claimed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US claimed
CN-101115731-A Oxadiazole derivatives as DGAT inhibitors ASTRAZENECA AB (SE) 2008-01-30 CN claimed
EP-1833806-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS AstraZeneca AB (SE) 2007-09-19 EP claimed
WO-2006064189-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 WO claimed
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
CN-101115731-A Oxadiazole derivatives as DGAT inhibitors ASTRAZENECA AB (SE) 2008-01-30 CN disclosed
EP-1833806-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2006064189-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 WO 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 (2 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-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT1, DGAT2, GPR119 HTR1E 2205/4885S1PR3 2132/4885LMNA 3296/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 HTR1E 2036/4885S1PR3 2232/4885LMNA 3477/4885

“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.