SCHEMBL3309963

SCHEMBL3309963

COC(=O)c1ccc2c(c1)c1c(n2C)CCNC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.49
PTGS2 P35354 1/20 0.49
MAPT P10636 1/20 0.44
MCHR1 Q99705 6/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
SCARB1 Q8WTV0 1/20 0.42
MAPKAPK2 P49137 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL14259970 0.82 PTGS1 (0.47) PTGS1PTGS2
SCHEMBL13328917 0.79 HTR6 (0.53) MAPTKDM4EALOX15MAPK1HSD17B10
SCHEMBL21153990 0.78 PTGS1 (0.60) PTGS1PTGS2MAPTMCHR1HTR2A
SCHEMBL3308956 0.78 CNR1 (0.64) ALDH1A1HPGD
SCHEMBL3308110 0.77 CNR1 (0.46) PTGS1PTGS2MAPTMCHR1HTR2A
SCHEMBL30569677 0.76 HTR2A (0.51) PTGS1PTGS2MAPTMCHR1HTR2A
SCHEMBL21154443 0.76 HTR2A (0.48) PTGS1PTGS2MCHR1HTR2AHTR2C
SCHEMBL21088049 0.75 HTR2A (0.50) PTGS1PTGS2MCHR1HTR2AHTR2C
SCHEMBL2246266 0.75 CYP3A4 (0.54) MCHR1HTR2AHTR2CKDM4EALOX15
Hydrochloric Acid SCHEMBL2248886 0.74 CYP3A4 (0.53) PTGS1PTGS2MCHR1HTR2AHTR2C

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 7 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 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
WO-2008036022-A1 TETRAHYDRO-LH-PYRIDO[3,4-B] INDOLE DERIVATIVES AS CB1 RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2008-03-27 WO disclosed
WO-2008036021-A1 TETRAHYDRO-LH-PYRIDO [3,4 -B] INDOLE DERIVATIVES AS CBL RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2008-03-27 WO 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 PTGS1 454/4885PTGS2 759/4885MAPT 2193/4885

“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.