SCHEMBL3314883

SCHEMBL3314883

C=CCN1c2ccc(NS(=O)(=O)c3ccccc3)cc2C2CN(C3CCOCC3)CCC21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.42
HSD17B10 Q99714 1/20 0.38
LMNA P02545 4/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
BRD4 O60885 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.33
TP53 P04637 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 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
SCHEMBL3316204 0.83 MAPT (0.37) LMNAALDH1A1MAPTKMT2AHPGD
SCHEMBL3310128 0.79 PTGDR2 (0.49) PTGDR2LMNAKDM4EPOLBBRD4
SCHEMBL3316176 0.78 GAA (0.32) MAPTSMN1; SMN2GAA
SCHEMBL3313158 0.76 ALDH1A1 (0.42) LMNAKDM4ENPC1RAB9AALDH1A1
SCHEMBL3314305 0.75 GAA (0.38) KDM4EMAPK1ALDH1A1MAPTMEN1
SCHEMBL3306190 0.71 MAPT (0.41) MAPK1ALDH1A1MAPTKMT2AHPGD
SCHEMBL13329680 0.69 CNR1 (0.57) PTGDR2
SCHEMBL3311146 0.67 PTGDR2 (0.39) PTGDR2LMNABRD4ALDH1A1MEN1
SCHEMBL3310923 0.67 PTGDR2 (0.40) PTGDR2LMNABRD4ALDH1A1MAPT
SCHEMBL3310627 0.65 PTGDR2 (0.38) PTGDR2HSD17B10LMNAPOLBBRD4

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 93/4885HSD17B10 3639/4885LMNA 4434/4885

“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.