SCHEMBL3225639

SCHEMBL3225639

CCCCCc1nc(C(N)=O)cn1CCCCC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 11/20 0.46
CNR1 P21554 1/20 0.39
ICMT O60725 2/20 0.39
SPNS2 Q8IVW8 1/20 0.37
HCAR3 P49019 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2C19 P33261 3/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL4934202 0.87 HCAR2 (0.43) TLR8HCAR3HCAR2CYP1A2CYP2C19
SCHEMBL4932341 0.81 KDM4E (0.48) CNR1GAA
SCHEMBL245726 0.74 TLR8 (0.49) TLR8SPNS2
SCHEMBL15474118 0.69 LMNA (0.38) TLR8
SCHEMBL3868934 0.69 SPNS2 (0.49) TLR8SPNS2MEN1KMT2ATDP1
SCHEMBL3282934 0.69 TLR8 (0.36) TLR8CNR1
SCHEMBL6071069 0.69 TLR8 (0.50) TLR8CNR1ICMTCYP1A2CYP2C19
SCHEMBL9090191 0.68 FAAH (0.39) CNR1CYP1A2CYP2C19GAAMEN1
SCHEMBL10530730 0.68 SPNS2 (0.48) TLR8SPNS2MEN1KMT2A
SCHEMBL3219891 0.68 CNR1 (0.48) CNR1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799804-B2 Therapeutic agents ASTRAZENECA AB (SE) 2010-09-21 US disclosed
WO-2009004380-A1 METHOD AND USE OF CIRCULATING LEVELS OF ENDOCANNABINOID LIGANDS FOR THE DETERMINATION OF PATIENT IN NEED AND/OR SUITABLE FOR CB1R ANTAGONIST DRUG TREATMENT AS WELL AS METHOD FOR INDUCING WEIGHT LOSS/MAINTENANCE/GAIN ASTRAZENECA AB (SE) 2009-01-08 WO disclosed
US-20090005415-A1 1,2-Diarylimidazoles for Use as Cb1 Modulators ASTRAZENECA AB (SE) 2009-01-01 US disclosed
US-20090005415-A1 1,2-Diarylimidazoles for Use as Cb1 Modulators ASTRAZENECA AB (SE) 2009-01-01 US disclosed
US-20080319019-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-12-25 US disclosed
US-20080306115-A1 Midazole-4-Carboxamide Derivatives For Use As Cb1 Modulators ASTRAZENECA AB (SE) 2008-12-11 US disclosed
CN-101263122-A 1, 2-diarylimidazoles useful as CB1 modulators ASTRAZENECA AB (SE) 2008-09-10 CN disclosed
US-20080214611-A1 Pharmaceutical Compositions - 659 ASTRAZENECA AB (SE) 2008-09-04 US disclosed
WO-2008096151-A1 PHARMACEUTICAL COMPOSITIONS OF CB1 MODULATORS ASTRAZENECA AB (SE) 2008-08-14 WO disclosed
EP-1940820-A1 MIDAZOLE-4-CARBOXAMIDE DERIVATIVES FOR USE AS CB MODULATORS AstraZeneca AB (SE) 2008-07-09 EP disclosed
EP-1940803-A1 1,2-DIARYLIMIDAZOLES FOR USE AS CBI MODULATORS AstraZeneca AB (SE) 2008-07-09 EP disclosed
EP-1940803-A1 1,2-DIARYLIMIDAZOLES FOR USE AS CBI MODULATORS AstraZeneca AB (SE) 2008-07-09 EP disclosed
EP-1833802-A2 1,2-DIPHENYL-IMIDAZOLE DERIVATIVES AND THEIR USE AS CB1 RECEPTOR LIGANDS AstraZeneca AB (SE) 2007-09-19 EP disclosed
US-20070208059-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2007-09-06 US disclosed
WO-2007031720-A1 1,2-DIARYLIMIDAZOLES FOR USE AS CBI MODULATORS ASTRAZENECA AB (SE) 2007-03-22 WO disclosed
WO-2007031721-A1 MIDAZOLE-4-CARBOXAMIDE DERIVATIVES FOR USE AS CB MODULATORS ASTRAZENECA AB (SE) 2007-03-22 WO disclosed
WO-2007031720-A1 1,2-DIARYLIMIDAZOLES FOR USE AS CBI MODULATORS ASTRAZENECA AB (SE) 2007-03-22 WO disclosed
EP-1735287-A1 THERAPEUTIC AGENTS Astrazeneca AB (SE) 2006-12-27 EP disclosed
WO-2006067428-A2 1, 2-DIPHENYL-IMIDAZOLE DERIVATIVES AND THEIR USE AS CB1 RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2006-06-29 WO disclosed
WO-2005095354-A1 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2005-10-13 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 (5 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-20080306115-A1 Midazole-4-Carboxamide Derivatives For Use As Cb1 Modulators CNR2, CNR1, FAAH TLR8 1479/4885CNR1 2/4885ICMT 4363/4885
US-20090005415-A1 1,2-Diarylimidazoles for Use as Cb1 Modulators CNR2, CNR1, FAAH TLR8 1504/4885CNR1 2/4885ICMT 3951/4885
US-20070208059-A1 Therapeutic Agents NLN, BDNF, GAP43 TLR8 3155/4885CNR1 193/4885ICMT 4343/4885
US-20080319019-A1 Therapeutic Agents SDHA, GPR119, ABAT TLR8 2042/4885CNR1 393/4885ICMT 3310/4885
US-20080214611-A1 Pharmaceutical Compositions - 659 CNR1, CNR2, GPR18 TLR8 3082/4885CNR1 1/4885ICMT 4740/4885

“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.