SCHEMBL3309907

SCHEMBL3309907

C=CCN1c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2C2CNCCC21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NR1I2 O75469 1/20 0.33
USP30 Q70CQ3 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 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
SCHEMBL3314305 0.80 GAA (0.38) DRD2DRD3KEAP1NFE2L2ALDH1A1
SCHEMBL3316204 0.78 MAPT (0.37) KEAP1NFE2L2ALDH1A1GAAAPOBEC3A
SCHEMBL3312357 0.77 CCR5 (0.39) GAAAPOBEC3AAPOBEC3GUSP30MAPT
SCHEMBL3310940 0.73 PTGDR2 (0.36) ALDH1A1HPGDMAPT
SCHEMBL13360739 0.69 HPGD (0.42) ALDH1A1HPGD
SCHEMBL22132288 0.68 HTR2C (0.38) HTR2CHTR2BSLC6A2SLC6A4MAPT
SCHEMBL22132289 0.68 HTR2C (0.38) HTR2CHTR2BSLC6A2SLC6A4MAPT
SCHEMBL3306190 0.66 MAPT (0.41) DRD2DRD3HTR2CKEAP1NFE2L2
SCHEMBL13328921 0.65 SIRT2 (0.43) HTR2CHTR2BHDAC1MLNRNR1H3
SCHEMBL18389065 0.64 HTR2C (0.33) HTR2CHTR2BSLC6A2SLC6A4ALDH1A1

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 4 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
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 DRD2 222/4885DRD3 237/4885HTR2C 14/4885

“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.