SCHEMBL307885

SCHEMBL307885

O=C(O)Cn1cnc2ccc(F)c(F)c21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.53
CSNK2A2 P19784 2/20 0.45
CSNK2A1 P68400 2/20 0.45
PRPS1 P60891 1/20 0.44
ADORA2B P29275 1/20 0.41
PTGS2 P35354 2/20 0.41
GRIN2B Q13224 1/20 0.39
HDAC6 Q9UBN7 2/20 0.39
EGLN3 Q9H6Z9 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2C9 P11712 1/20 0.35
IDO1 P14902 1/20 0.35
KCNH2 Q12809 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
SCHEMBL306815 0.86 CSNK2A2 (0.44) TRPV1CSNK2A2CSNK2A1ADORA2BPTGS2
SCHEMBL5133267 0.86 TRPV1 (0.55) TRPV1PRPS1SMN1; SMN2LMNAKDM4E
SCHEMBL308437 0.85 CSNK2A2 (0.43) TRPV1CSNK2A2CSNK2A1ADORA2BPTGS2
Hydrochloric Acid SCHEMBL308173 0.85 CSNK2A2 (0.43) TRPV1CSNK2A2CSNK2A1ADORA2BPTGS2
SCHEMBL308328 0.81 PTGS2 (0.48) TRPV1CSNK2A2CSNK2A1ADORA2BPTGS2
SCHEMBL308444 0.78 PRPS1 (0.51) TRPV1CSNK2A2CSNK2A1PRPS1ADORA2B
SCHEMBL3038500 0.75 CSNK2A2 (0.53) CSNK2A2CSNK2A1PRPS1ADORA2BPTGS2
SCHEMBL2693569 0.74 TRPV1 (0.67) TRPV1PRPS1SMN1; SMN2LMNAKDM4E
SCHEMBL9988203 0.74 TRPV1 (0.71) TRPV1SMN1; SMN2LMNAALDH1A1TDP1
SCHEMBL9988201 0.74 TRPV1 (0.62) TRPV1PRPS1SMN1; SMN2CYP2C9IDO1

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 34 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-8168668-B2 Compounds ASTRAZENECA AB (SE) 2012-05-01 US 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
EP-1966156-B1 NEW COMPOUNDS III ASTRAZENECA AB (SE) 2011-12-21 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
US-20080171770-A1 Compounds ASTRAZENECA AB (SE) 2008-07-17 US 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
WO-2007073303-A2 NOVEL BENZIMIDAZOLE DERIVATIVES AS VANILLOID RECEPTOR 1 (VRL) INHIBITORS ASTRAZENECA AB (SE) 2007-06-28 WO 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 (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-20080221188-A1 New Benzimidazole Derivatives OPRD1, OPRK1, SDHA TRPV1 10/4885CSNK2A2 496/4885CSNK2A1 559/4885
US-20080171770-A1 Compounds REN, PCSK9, SLC10A1 TRPV1 91/4885CSNK2A2 1416/4885CSNK2A1 1509/4885

“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.