SCHEMBL5011585

SCHEMBL5011585

COc1ccc2c(Cc3nc4c(ccc5[nH]cc(C6CN7CCC6CC7)c54)[nH]3)c[nH]c2c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.39
HTR2A P28223 1/20 0.37
DRD4 P21917 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR6 P50406 1/20 0.36
HTR1A P08908 3/20 0.36
HTR1B P28222 2/20 0.36
AHR P35869 1/20 0.35
MTNR1B P49286 2/20 0.35
MTNR1A P48039 1/20 0.35

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 SCHEMBL5013248 0.99 GPR84 (0.38) GPR84HTR2ADRD4MEN1KMT2A
SCHEMBL3553092 0.85 MTNR1B (0.39) GPR84HTR2ADRD4MEN1KMT2A
Hydrochloric Acid SCHEMBL3550073 0.84 MTNR1B (0.39) GPR84HTR2ADRD4MEN1KMT2A
SCHEMBL3542038 0.79 MTNR1B (0.46) GPR84HTR2AHTR1AHTR1BMTNR1B
Hydrochloric Acid SCHEMBL3546035 0.78 MTNR1B (0.45) GPR84HTR2AHTR1AHTR1BMTNR1B
SCHEMBL9448872 0.78 NOS3 (0.49) HTR2AMEN1KMT2AKDM4EGAA
SCHEMBL5011676 0.75 NOS3 (0.34) HTR2AHTR6HTR1AHTR1B
Hydrochloric Acid SCHEMBL5013243 0.74 NOS3 (0.33) HTR2AHTR1AHTR1B
SCHEMBL5013244 0.74 HTR1A (0.41) HTR1AHTR1B
SCHEMBL9448836 0.73 HTR2A (0.61) HTR2AHTR6HTR1AHTR1BMTNR1B

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 10 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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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 GPR84 263/4885HTR2A 12/4885DRD4 75/4885

“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.