SCHEMBL3544334

SCHEMBL3544334

O=C(O)C1CCCCN1c1[c]nccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 1/20 0.37
OGFRL1 Q5TC84 1/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 1/20 0.35
HSD11B1 P28845 1/20 0.35

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
SCHEMBL15415528 0.88 SMN1; SMN2 (0.36) SMN1; SMN2KMT2AALDH1A1HTTKDM4E
SCHEMBL3545484 0.84 OPRM1 (0.40) KMT2AOGFRL1
SCHEMBL3548296 0.80 FFAR1 (0.46)
SCHEMBL3516828 0.75 SMN1; SMN2 (0.32) SMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL3548841 0.74 NOS2 (0.37)
SCHEMBL15415486 0.73 SMN1; SMN2 (0.42) SMN1; SMN2KMT2AALDH1A1HSD17B10OGFRL1
SCHEMBL557645 0.73 BCHE (0.39) SMN1; SMN2ALDH1A1HTTMAPT
SCHEMBL28087269 0.73 SMN1; SMN2 (0.53) SMN1; SMN2KMT2AALDH1A1HSD17B10OGFRL1
SCHEMBL8104378 0.72 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AALDH1A1HSD17B10OGFRL1
SCHEMBL13603832 0.72 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AALDH1A1HSD17B10OGFRL1

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 13 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-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US 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-9475820-B2 Substituted imidazo[1,2-a]pyrazines as TNF activity modulators UCB BIOPHARMA SPRL (BE) 2016-10-25 US disclosed
US-20150191482-A1 Imidazopyrazine Derivatives as Modulators of TNF Activity UCB BIOPHARMA SPRL (BE) 2015-07-09 US disclosed
EP-2872511-A1 IMIDAZOPYRAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2015-05-20 EP disclosed
WO-2014009296-A1 IMIDAZOPYRAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB PHARMA S.A. (BE) 2014-01-16 WO disclosed
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 (3 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 SMN1; SMN2 4452/4885KMT2A 1509/4885ALDH1A1 314/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 SMN1; SMN2 4458/4885KMT2A 1490/4885ALDH1A1 303/4885
US-20150191482-A1 Imidazopyrazine Derivatives as Modulators of TNF Activity TNF, TNFRSF1A, NFKBIA SMN1; SMN2 567/4885KMT2A 3823/4885ALDH1A1 1230/4885

“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.