SCHEMBL3814893

SCHEMBL3814893

CCCS(=O)(=O)Oc1ccc(-c2c(C)c(C(=O)NN3CCOCC3)nn2-c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.75
CNR1 P21554 10/20 0.71
CYP2C9 P11712 3/20 0.71
GPR55 Q9Y2T6 3/20 0.71
CYP1A2 P05177 2/20 0.71
CYP2D6 P10635 2/20 0.71
MAPT P10636 2/20 0.71
CYP2C19 P33261 2/20 0.71
KDM4E B2RXH2 1/20 0.71
MEN1 O00255 1/20 0.71
ALOX15 P16050 1/20 0.71
KMT2A Q03164 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
ABCC4 O15439 1/20 0.62
MLNR O43193 1/20 0.62
ABCB11 O95342 1/20 0.62
CHRM2 P08172 1/20 0.62
ADORA3 P0DMS8 1/20 0.62
ADRA2B P18089 1/20 0.62
ADRA2C P18825 1/20 0.62

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
SCHEMBL3813720 0.92 CNR1 (0.74) CNR2CNR1CYP2C9GPR55CYP1A2
Hydrochloric Acid SCHEMBL4604024 0.92 CNR1 (0.74) CNR2CNR1CYP2C9GPR55CYP1A2
SCHEMBL3814159 0.88 CNR1 (0.72) CNR2CNR1CYP2C9GPR55CYP1A2
SCHEMBL3817669 0.84 CNR1 (0.71) CNR2CNR1CYP2C9GPR55CYP1A2
SCHEMBL4831846 0.84 CNR1 (0.71) CNR2CNR1CYP2C9GPR55CYP1A2
SCHEMBL3814988 0.84 CNR1 (0.71) CNR2CNR1CYP2C9GPR55CYP1A2
SCHEMBL3815422 0.84 CNR1 (0.64) CNR2CNR1CYP2C9GPR55CYP1A2
SCHEMBL29835959 0.84 CNR1 (1.00) CNR2CNR1CYP2C9GPR55CYP1A2
SCHEMBL3815250 0.84 CNR2 (0.91) CNR2CNR1CYP2C9GPR55CYP1A2
SCHEMBL1517458 0.84 CNR1 (1.00) CNR2CNR1CYP2C9GPR55CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1718617-B1 3-SUBSTITUTED 1,5-DIPHENYLPYRAZOLE DERIVATIVES USEFUL AS CB1 MODULATORS ASTRAZENECA AB (SE) 2009-08-19 EP claimed
US-20090149463-A1 Therapeutic agents CHENG LEIFENG 2009-06-11 US claimed
EP-1915364-A1 PYRAZOLE DERIVATIVES AS THERAPEUTIC AGENTS AstraZeneca AB (SE) 2008-04-30 EP claimed
WO-2007020388-A1 PYRAZOLE DERIVATIVES AS THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2007-02-22 WO claimed
EP-1718617-B1 3-SUBSTITUTED 1,5-DIPHENYLPYRAZOLE DERIVATIVES USEFUL AS CB1 MODULATORS ASTRAZENECA AB (SE) 2009-08-19 EP disclosed
US-20090149463-A1 Therapeutic agents CHENG LEIFENG 2009-06-11 US disclosed
EP-1915364-A1 PYRAZOLE DERIVATIVES AS THERAPEUTIC AGENTS AstraZeneca AB (SE) 2008-04-30 EP disclosed
WO-2007020388-A1 PYRAZOLE DERIVATIVES AS THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2007-02-22 WO disclosed
EP-1718617-A2 3-SUBSTITUTED 1,5-DIPHENYLPYRAZOLE DERIVATIVES USEFUL AS CB1 MODULATORS3-SUBSTITUTED 1,5-DIPHENYLPYRAZOLE DERIVATIVES USEFUL AS CB1 MODULATORS AstraZeneca AB (SE) 2006-11-08 EP disclosed
WO-2005080343-A2 3-SUBSTITUTED 1,5-DIPHENYLPYRAZOLE DERIVATIVES USEFUL AS CB1 MODULATORS ASTRAZENECA AB (SE) 2005-09-01 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 (1 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-20090149463-A1 Therapeutic agents NLN, BDNF, GAP43 CNR2 209/4885CNR1 173/4885CYP2C9 3176/4885

“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.