SCHEMBL3306176

SCHEMBL3306176

CCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C1CCOC1)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 1.00
KCNH2 Q12809 5/20 1.00
CNR2 P34972 5/20 0.91

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
SCHEMBL3310279 0.95 CNR1 (1.00) CNR1KCNH2CNR2
SCHEMBL3310412 0.94 CNR1 (1.00) CNR1KCNH2CNR2
SCHEMBL3311010 0.90 CNR1 (1.00) CNR1KCNH2CNR2
SCHEMBL3309917 0.89 CNR1 (0.91) CNR1KCNH2CNR2
SCHEMBL3308954 0.89 CNR1 (1.00) CNR1KCNH2CNR2
SCHEMBL3312387 0.89 CNR1 (0.98) CNR1KCNH2CNR2
SCHEMBL3308084 0.87 CNR1 (0.88) CNR1KCNH2CNR2
SCHEMBL14258985 0.87 CNR1 (0.86) CNR1KCNH2CNR2
SCHEMBL3312676 0.86 CNR1 (1.00) CNR1KCNH2CNR2
SCHEMBL3305796 0.86 CNR1 (0.87) CNR1KCNH2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113502-A1 Novel Tetrahydro-1H-Pyrido[4,3-b] Indole Derivatives as CB1 Receptor Ligands ASTRAZENECA AB (SE) 2010-05-06 US claimed
US-20100113502-A1 Novel Tetrahydro-1H-Pyrido[4,3-b] Indole Derivatives as CB1 Receptor Ligands ASTRAZENECA AB (SE) 2010-05-06 US disclosed
US-20100113502-A1 Novel Tetrahydro-1H-Pyrido[4,3-b] Indole Derivatives as CB1 Receptor Ligands ASTRAZENECA AB (SE) 2010-05-06 US disclosed
US-20100113502-A1 Novel Tetrahydro-1H-Pyrido[4,3-b] Indole Derivatives as CB1 Receptor Ligands ASTRAZENECA AB (SE) 2010-05-06 US disclosed
EP-1863810-A1 NOVEL TETRAHYDRO-1H-PYRIDO [4,3-b] INDOLE DERIVATIVES AS CB1' RECEPTOR LIGANDS AstraZeneca AB (SE) 2007-12-12 EP disclosed
WO-2006101434-A1 NOVEL TETRAHYDRO-1H-PYRIDO [4,3-b] INDOLE DERIVATIVES AS CB1’ RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2006-09-28 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 (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-20100113502-A1 Novel Tetrahydro-1H-Pyrido[4,3-b] Indole Derivatives as CB1 Receptor Ligands CNR1, CNR2, OPRL1 CNR1 1/4885KCNH2 856/4885CNR2 2/4885

“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.