SCHEMBL3312043

SCHEMBL3312043

CCCn1c2c(c3cc(NC(=O)C4CCCO4)ccc31)CN(C1CCOCC1)CC2

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 14/20 0.62
KCNH2 Q12809 4/20 0.49
CNR2 P34972 1/20 0.45
HPGD P15428 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL3308494 0.91 CNR1 (0.62) CNR1KCNH2CNR2
SCHEMBL3311826 0.91 CNR1 (0.62) CNR1KCNH2CNR2
SCHEMBL3308026 0.91 CNR1 (0.64) CNR1KCNH2CNR2
SCHEMBL3308491 0.90 CNR1 (0.62) CNR1KCNH2CNR2HPGDNPC1
SCHEMBL13329723 0.84 CNR1 (0.63) CNR1KCNH2HPGDNPC1SMN1; SMN2
SCHEMBL13329718 0.84 CNR1 (0.63) CNR1KCNH2CNR2NPC1SMN1; SMN2
SCHEMBL13329716 0.82 CNR1 (0.64) CNR1KCNH2CNR2HPGDSMN1; SMN2
SCHEMBL13329725 0.81 CNR1 (0.61) CNR1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL5613533 0.80 CNR1 (0.56) CNR1KCNH2CNR2NPC1SMN1; SMN2
SCHEMBL13329721 0.80 CNR1 (0.62) CNR1KCNH2CNR2SMN1; SMN2ALDH1A1

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 856/4885CNR2 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.