SCHEMBL3547781

SCHEMBL3547781

O=C(O)Nc1ccc(C2CCC3(CC2)OCCO3)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 4/20 0.38
ALDH1A1 P00352 6/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RORC P51449 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
OPRL1 P41146 1/20 0.36
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
EPHX2 P34913 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
SCHEMBL23272215 0.84 ALDH1A1 (0.46) TP53MAPTLMNAALDH1A1KMT2A
SCHEMBL3552223 0.75 IKBKE (0.41) MAPTLMNAALDH1A1HTT
SCHEMBL30089471 0.75 NPC1 (0.39) LMNAALDH1A1KMT2AHTTNPSR1
SCHEMBL30089446 0.74 TP53 (0.41) TP53LMNAALDH1A1KMT2AHTT
SCHEMBL20011431 0.74 NPC1 (0.48) ALDH1A1OPRL1NPC1RAB9A
SCHEMBL25236450 0.74 C5AR1 (0.41) OPRL1
SCHEMBL25236451 0.74 C5AR1 (0.41) OPRL1
SCHEMBL25213573 0.74 C5AR1 (0.41) OPRL1
SCHEMBL3540420 0.73 IDO1 (0.40) ALDH1A1NPC1RAB9A
SCHEMBL24753478 0.72 L3MBTL1 (0.42) TP53MAPTLMNAHTTSMN1; SMN2

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 5 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 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
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 TP53 4757/4885MAPT 2115/4885LMNA 3296/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 TP53 4793/4885MAPT 1986/4885LMNA 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.