SCHEMBL3545485

SCHEMBL3545485

COC(=O)c1ccn[c]c1N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
ALDH1A1 P00352 5/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 3/20 0.38
GLA P06280 2/20 0.38
OPRK1 P41145 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
GFER P55789 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 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
SCHEMBL15415529 0.85 SMN1; SMN2 (0.43) KDM4ESMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL3544336 0.82 IP6K1 (0.40) KDM4ESMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL3546866 0.79 KDM4E (0.40) KDM4ESMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL3548844 0.77 MAPT (0.38) KDM4ESMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL2067450 0.72 ALDH1A1 (0.39) KDM4ESMN1; SMN2NPSR1ALDH1A1HPGD
SCHEMBL4738517 0.72 ADRA1A (0.36) KDM4EMEN1KMT2A
SCHEMBL15415201 0.71 PLD1 (0.38) KDM4EALDH1A1HSD17B10CYP3A4MEN1
SCHEMBL3545222 0.70 OPRK1 (0.40) KDM4ESMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL25384089 0.70 KDM4E (0.45) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL27090280 0.70 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10GAA

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 9 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-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 KDM4E 3511/4885SMN1; SMN2 4452/4885NPC1 423/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 KDM4E 3382/4885SMN1; SMN2 4458/4885NPC1 399/4885

“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.