SCHEMBL5013247

SCHEMBL5013247

CN1CCN(CCc2nc3c(ccc4[nH]cc(C5CN6CCC5CC6)c43)[nH]2)CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 1/20 0.37
HTR1D P28221 9/20 0.36
HTR1B P28222 9/20 0.36
HTR1F P30939 8/20 0.35
MPO P05164 1/20 0.35
NOS3 P29474 3/20 0.35
NOS1 P29475 3/20 0.35
CHRNA7 P36544 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
NOS2 P35228 1/20 0.33
HTR1A P08908 2/20 0.32
HTR1E P28566 1/20 0.32
HTR6 P50406 1/20 0.32
HTR4 Q13639 1/20 0.32

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 SCHEMBL5012644 0.99 HTR2A (0.36) HTR2AHTR2CHTR2BHTR1DHTR1B
SCHEMBL5011676 0.84 NOS3 (0.34) HTR2AHTR2CHTR2BHTR1DHTR1B
Hydrochloric Acid SCHEMBL5013243 0.83 NOS3 (0.33) HTR2AHTR2CHTR2BHTR1DHTR1B
SCHEMBL3548236 0.82 HTR2A (0.35) HTR2AHTR2CHTR2BHTR1DHTR1B
SCHEMBL5013253 0.82 NOS3 (0.32) NOS3NOS1
Hydrochloric Acid SCHEMBL3551139 0.81 HTR2A (0.35) HTR2AHTR2CHTR2BHTR1DHTR1B
SCHEMBL5013244 0.79 HTR1A (0.41) HTR1DHTR1BHTR1FNOS3NOS1
Hydrochloric Acid SCHEMBL5011654 0.78 HTR1A (0.41) HTR1DHTR1BHTR1FNOS3NOS1
SCHEMBL5013240 0.74 CHRNA7 (0.40) NOS3NOS1CHRNA7
SCHEMBL5011585 0.73 GPR84 (0.39) HTR2AHTR1BHTR1AHTR6

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 3 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

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 HTR2A 12/4885HTR2C 16/4885HTR2B 23/4885

“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.