SCHEMBL3310128

SCHEMBL3310128

CCCN1c2ccc(NS(=O)(=O)c3ccccc3)cc2C2CN(C3CCCC3)CCC21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.49
MLNR O43193 1/20 0.43
BRD4 O60885 2/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HTR6 P50406 4/20 0.39
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MCOLN2 Q8IZK6 1/20 0.37
MCOLN1 Q9GZU1 1/20 0.37
PAX8 Q06710 2/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
EIF2AK2 P19525 1/20 0.36
NLRP3 Q96P20 1/20 0.36

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
SCHEMBL3310923 0.88 PTGDR2 (0.40) PTGDR2MLNRBRD4ALDH1A1LMNA
SCHEMBL3311146 0.86 PTGDR2 (0.39) PTGDR2MLNRBRD4ALDH1A1LMNA
SCHEMBL3310627 0.85 PTGDR2 (0.38) PTGDR2MLNRBRD4POLBALDH1A1
SCHEMBL3310872 0.83 GAA (0.40) POLBLMNATP53MAPTSMN1; SMN2
SCHEMBL3317889 0.82 CHRM1 (0.42) POLBALDH1A1LMNAKDM4ETP53
SCHEMBL3312048 0.80 ALDH1A1 (0.44) PTGDR2ALDH1A1LMNAKDM4EMAPT
SCHEMBL3314883 0.79 PTGDR2 (0.42) PTGDR2BRD4POLBALDH1A1HTR6
SCHEMBL3314408 0.79 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTSMN1; SMN2GAA
SCHEMBL3311243 0.79 KMT2A (0.40) BRD4POLBALDH1A1LMNAKDM4E
SCHEMBL3312719 0.78 DRD2 (0.38) PTGDR2LMNAMAPTSMN1; SMN2GAA

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 93/4885MLNR 441/4885BRD4 291/4885

“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.