SCHEMBL309078

SCHEMBL309078

CC(=O)c1cccc2ncn(CCO)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.41
DPP8 Q6V1X1 1/20 0.41
LMNA P02545 2/20 0.41
ADORA2B P29275 1/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EGLN3 Q9H6Z9 1/20 0.39
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
APAF1 O14727 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 2/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
PDPK1 O15530 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
CNR2 P34972 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
SCHEMBL4453299 0.87 DPP4 (0.45) DPP4DPP8LMNAADORA2BHTT
SCHEMBL3042449 0.85 LMNA (0.43) DPP4DPP8LMNAADORA2BKDM4E
SCHEMBL14283223 0.84 SMN1; SMN2 (0.40) LMNAADORA2BHTTSMN1; SMN2EGLN3
SCHEMBL306478 0.82 PTGS2 (0.46) LMNAADORA2BHTTSMN1; SMN2EGLN3
SCHEMBL3042416 0.77 DPP4 (0.41) DPP4DPP8LMNAADORA2BEGLN3
SCHEMBL14291769 0.76 DPP4 (0.49) DPP4DPP8LMNAADORA2BHTT
SCHEMBL5377115 0.76 AGER (0.41) LMNAHTTSMN1; SMN2APAF1POLB
SCHEMBL308832 0.75 DPP4 (0.58) DPP4DPP8LMNAADORA2BHTT
SCHEMBL3029115 0.75 PRPS1 (0.51) DPP4DPP8LMNAADORA2BHTT
SCHEMBL307334 0.75 DPP4 (0.45) DPP4DPP8LMNAADORA2BHTT

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2051967-B1 BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS NEOMED INST (CA) 2014-12-31 EP disclosed
EP-2051967-B1 BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS NEOMED INST (CA) 2014-12-31 EP disclosed
US-8168668-B2 Compounds ASTRAZENECA AB (SE) 2012-05-01 US disclosed
US-8093402-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2012-01-10 US disclosed
US-8093402-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2012-01-10 US disclosed
US-8093402-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2012-01-10 US disclosed
EP-1966156-B1 NEW COMPOUNDS III ASTRAZENECA AB (SE) 2011-12-21 EP disclosed
US-20110137045-A1 BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2011-06-09 US disclosed
US-20110137045-A1 BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2011-06-09 US disclosed
US-20110137045-A1 BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2011-06-09 US disclosed
US-7618993-B2 Compounds ASTRAZENECA AB (SE) 2009-11-17 US disclosed
EP-2051967-A1 BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS AstraZeneca AB (SE) 2009-04-29 EP disclosed
US-20080221188-A1 New Benzimidazole Derivatives ASTRAZENECA R&D SODERTALJE (SE) 2008-09-11 US disclosed
US-20080221188-A1 New Benzimidazole Derivatives ASTRAZENECA R&D SODERTALJE (SE) 2008-09-11 US disclosed
EP-1966156-A2 NEW COMPOUNDS III AstraZeneca AB (SE) 2008-09-10 EP disclosed
US-20080171770-A1 Compounds ASTRAZENECA AB (SE) 2008-07-17 US disclosed
WO-2008018827-A1 BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS ASTRAZENECA AB (SE) 2008-02-14 WO disclosed
WO-2008018827-A1 BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS ASTRAZENECA AB (SE) 2008-02-14 WO disclosed
US-20080015222-A1 New Heterocyclic Amides ASTRAZENECA AB (SE) 2008-01-17 US disclosed
WO-2007073303-A2 NOVEL BENZIMIDAZOLE DERIVATIVES AS VANILLOID RECEPTOR 1 (VRL) INHIBITORS ASTRAZENECA AB (SE) 2007-06-28 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 (4 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-20080221188-A1 New Benzimidazole Derivatives OPRD1, OPRK1, SDHA DPP4 1151/4885DPP8 1235/4885LMNA 3359/4885
US-20080015222-A1 New Heterocyclic Amides AADAC, AVPR2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 DPP4 154/4885DPP8 170/4885LMNA 2368/4885
US-20110137045-A1 BENZIMIDAZOLE DERIVATIVES OPRD1, OPRK1, SDHA DPP4 913/4885DPP8 1054/4885LMNA 3182/4885
US-20080171770-A1 Compounds REN, PCSK9, SLC10A1 DPP4 58/4885DPP8 201/4885LMNA 1086/4885

“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.