SCHEMBL3317573

SCHEMBL3317573

Cn1c2c(c3cc(C(=O)NCCN4CCOCC4)ccc31)CN(C1CCOCC1)CC2

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 14/20 0.65
KCNH2 Q12809 4/20 0.65
KMT2A Q03164 1/20 0.54
POLB P06746 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPK1 P28482 1/20 0.51
CNR2 P34972 1/20 0.51
PIK3CA P42336 1/20 0.49

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
SCHEMBL3314249 0.90 CNR1 (0.65) CNR1KCNH2CNR2
SCHEMBL61567 0.86 CNR1 (0.70) CNR1KCNH2CNR2
SCHEMBL3308903 0.84 CNR1 (0.66) CNR1KCNH2KMT2AALDH1A1CNR2
SCHEMBL3312450 0.84 CNR1 (0.62) CNR1KCNH2KMT2ACNR2
SCHEMBL25812566 0.83 KMT2A (0.62) KCNH2KMT2APOLBALDH1A1MAPK1
SCHEMBL3311441 0.83 CNR1 (0.77) CNR1KCNH2CNR2
SCHEMBL3306051 0.83 CNR1 (0.63) CNR1KCNH2CNR2
SCHEMBL3306040 0.83 CNR1 (0.63) CNR1KCNH2POLBCNR2
SCHEMBL3308402 0.82 CNR1 (0.73) CNR1KCNH2CNR2
SCHEMBL3313232 0.82 CNR1 (0.89) 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
EP-1863810-A1 NOVEL TETRAHYDRO-1H-PYRIDO [4,3-b] INDOLE DERIVATIVES AS CB1' RECEPTOR LIGANDS AstraZeneca AB (SE) 2007-12-12 EP claimed
WO-2006101434-A1 NOVEL TETRAHYDRO-1H-PYRIDO [4,3-b] INDOLE DERIVATIVES AS CB1’ RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2006-09-28 WO 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

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 856/4885KMT2A 2274/4885

“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.