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SCHEMBL3310923

SCHEMBL3310923

CCCN1c2ccc(NS(=O)(=O)CC)cc2C2CN(C3CCCC3)CCC21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MLNR O43193 1/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ DRD5 P21918 1/20 0.35
▸ AR P10275 1/20 0.35
▸ BRD4 O60885 2/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ BRPF1 P55201 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ROCK2 O75116 3/20 0.33
▸ GAA P10253 1/20 0.33
▸ APOBEC3A P31941 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33

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
SCHEMBL3311146 0.90 PTGDR2 (0.39) PTGDR2ALDH1A1MEN1LMNAHPGD
SCHEMBL3310627 0.90 PTGDR2 (0.38) PTGDR2ALDH1A1MEN1LMNAHPGD
SCHEMBL3310128 0.88 PTGDR2 (0.49) PTGDR2ALDH1A1LMNAMLNRBRD4
SCHEMBL3312048 0.83 ALDH1A1 (0.44) PTGDR2ALDH1A1MEN1LMNAHPGD
SCHEMBL3311243 0.83 KMT2A (0.40) ALDH1A1MEN1LMNAHPGDKMT2A
SCHEMBL3314408 0.83 ALDH1A1 (0.41) ALDH1A1MEN1HPGDKMT2AMAPT
SCHEMBL3312719 0.82 DRD2 (0.38) PTGDR2MEN1LMNAKMT2ADRD2
SCHEMBL3310872 0.81 GAA (0.40) MEN1LMNAKMT2AMAPTGAA
SCHEMBL3317889 0.81 CHRM1 (0.42) ALDH1A1MEN1LMNAHPGDHTT
SCHEMBL3312399 0.80 AR (0.36) ARGAAAPOBEC3AAPOBEC3GAURKA

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
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 PTGDR2 93/4885ALDH1A1 1706/4885MEN1 2532/4885

“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.