SCHEMBL5013240

SCHEMBL5013240

c1ccc(-c2nc3c(ccc4[nH]cc(C5CN6CCC5CC6)c43)[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.40
GRIN2B Q13224 12/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 3/20 0.39
GRIN1 Q05586 1/20 0.38
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38

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
Hydrochloric Acid SCHEMBL5011631 0.99 CHRNA7 (0.39) CHRNA7GRIN2BCYP1A2CYP2D6GRIN1
SCHEMBL5011660 0.90 KDM4E (0.47) NOS3NOS1
Hydrochloric Acid SCHEMBL5016044 0.89 KDM4E (0.47) NOS3NOS1
SCHEMBL5013244 0.82 HTR1A (0.41) CHRNA7NOS3NOS1
Hydrochloric Acid SCHEMBL5011654 0.81 HTR1A (0.41) CHRNA7NOS3NOS1
SCHEMBL3546019 0.80 CHRM2 (0.39) CHRNA7NOS3NOS1
Hydrochloric Acid SCHEMBL3549839 0.79 CHRM2 (0.38) CHRNA7NOS3NOS1
SCHEMBL5011676 0.75 NOS3 (0.34) NOS3NOS1
SCHEMBL5654535 0.75 NOS3 (0.39) CHRNA7NOS3NOS1
Hydrochloric Acid SCHEMBL5013243 0.74 NOS3 (0.33) NOS3NOS1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383774-B1 DIHYDROIMIDAZO¬4,5-E INDOLE AND 7H-PYRROLO¬3,2-F QUINOXALINE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND/OR SEROTONERGIC LIGANDS MERCK PATENT GMBH (DE) 2008-05-07 EP disclosed
US-7279496-B2 Dihydroimidazo[4,5-e]indole and 7h-pyrrolo[3,2-f]quinoxaline derivatives as nicotinic acetylcholine receptor ligands and/or serotonergic ligands MERCK PATENT GMBH (DE) 2007-10-09 US disclosed
US-20040142935-A1 Dihydroimidazo[4,5-e]indole and 7h-pyrrolo[3,2-f]quinoxaline derivatives as nicotinic acetylcholine receptor liqands and/or serotonergic ligands MERCK PATENT GMBH (DE) 2004-07-22 US disclosed
EP-1383774-A2 DIHYDROIMIDAZO[4,5-E]INDOLE AND 7H-PYRROLO[3,2-F]QUINOXALINE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND/OR SEROTONERGIC LIGANDS MERCK PATENT GmbH (DE) 2004-01-28 EP disclosed
WO-2002088143-A2 DIHYDROIMIDAZO[4,5-E]INDOLE AND 7H-PYRROLO[3,2-F]QUINOXALINE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND/OR SEROTONERGIC LIGANDS MERCK PATENT GMBH (DE) 2002-11-07 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-20040142935-A1 Dihydroimidazo[4,5-e]indole and 7h-pyrrolo[3,2-f]quinoxaline derivatives as nicotinic acetylcholine receptor liqands and/or serotonergic ligands CHRNA5, HTR5A, CHRNA4 CHRNA7 13/4885GRIN2B 48/4885CYP1A2 2275/4885

“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.