SCHEMBL3544336

SCHEMBL3544336

O=C(O)c1ccn[c]c1N1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.40
MAPK8 P45983 1/20 0.39
CDC7 O00311 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTPN1 P18031 2/20 0.37
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
DHODH Q02127 1/20 0.36
KDM4E B2RXH2 6/20 0.36
GAA P10253 4/20 0.36
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
GLA P06280 1/20 0.35
NPC1 O15118 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
SCHEMBL15415529 0.87 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2KDM4EGAAPOLB
SCHEMBL3545485 0.82 KDM4E (0.44) ALDH1A1SMN1; SMN2KDM4EGAAL3MBTL1
SCHEMBL3548297 0.77 FABP3 (0.34) MAPK8CDC7ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3537755 0.75 SMN1; SMN2 (0.41) IP6K1ALDH1A1SMN1; SMN2PTPN1DHODH
SCHEMBL4235717 0.74 CHKA (0.38) ALDH1A1GAAPOLBL3MBTL1HSD17B10
SCHEMBL15415550 0.74 CHKA (0.38) ALDH1A1GAAPOLBL3MBTL1HSD17B10
SCHEMBL3516829 0.74 CHKA (0.36) ALDH1A1KDM4EHSD17B10TDP1HPGD
SCHEMBL15415201 0.72 PLD1 (0.38) ALDH1A1KDM4EHSD17B10KMT2AMEN1
SCHEMBL14941441 0.70 CHKA (0.36) ALDH1A1SMN1; SMN2KDM4EGAAL3MBTL1
SCHEMBL3548844 0.70 MAPT (0.38) ALDH1A1SMN1; SMN2KDM4EGAAL3MBTL1

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 IP6K1 2596/4885MAPK8 2308/4885CDC7 2389/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 IP6K1 2571/4885MAPK8 2509/4885CDC7 2653/4885
US-20150191482-A1 Imidazopyrazine Derivatives as Modulators of TNF Activity TNF, TNFRSF1A, NFKBIA IP6K1 81/4885MAPK8 527/4885CDC7 3338/4885

“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.