SCHEMBL417280

SCHEMBL417280

Brc1cnc(O[C@H]2CCN3CCC[C@@H]2C3)nc1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.39
CHRM2 P08172 2/20 0.39
HMOX1 P09601 1/20 0.39
CHRNA7 P36544 3/20 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
SCHEMBL1542452 0.82 CHRM1 (0.46) CHRM1CHRM2HMOX1CHRNA7
SCHEMBL1542861 0.82 CHRM1 (0.46) CHRM1CHRM2HMOX1CHRNA7
SCHEMBL1542863 0.82 CHRM1 (0.46) CHRM1CHRM2HMOX1CHRNA7
SCHEMBL1146472 0.79 CHRNA7 (0.47) CHRM1CHRM2CHRNA7
SCHEMBL1146473 0.79 CHRNA7 (0.47) CHRM1CHRM2CHRNA7
SCHEMBL1146361 0.76 HTR3A (0.36) CHRM1CHRM2CHRNA7
SCHEMBL1146358 0.76 HTR3A (0.36) CHRM1CHRM2CHRNA7
SCHEMBL1146304 0.74 SCD5 (0.39) CHRM1CHRM2
SCHEMBL1145826 0.73 CHRNA7 (0.38) CHRNA7
SCHEMBL1145822 0.73 CHRNA7 (0.38) CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140113908-A1 [(1H-INDOL-5-YL) - HETEROARYLOXY] - (1-AZA-BICYCLO [3.3.1] NONANES AS CHOLINERGIC LIGANDS OF THE N-ACHR FOR THE TREATMENT OF PSYCHOTIC AND NEURODEGENRATIVE DISORDERS NOVARTIS AG (CH) 2014-04-24 US disclosed
US-8637517-B2 Organic compounds NOVARTIS AG (CH) 2014-01-28 US disclosed
US-20120022074-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-26 US disclosed
US-8048885-B2 Organic compounds NOVARTIS AG (CH) 2011-11-01 US disclosed
EP-1966209-B1 [ 1H- INDOL- 5 -YL) -HETEROARYLOXY] - (1-AZA-BICYCLO [3.3.1] NONANES AS CHOLINERGIC LIGANDS OF THE N-ACHR FOR THE TREATMENT OF PSYCHOTIC AND NEURODEGENERATIVE DISORDERS NOVARTIS AG (CH) 2011-10-19 EP disclosed
EP-2361914-A1 [(1H-INDOL-5-YL)-HETEROARYLOXY]-(1-AZA-BICYCLO[3.3.1]NONANES AS CHOLINERGIC LIGANDS OF THE N-ACHR FOR THE TREATMENT OF PSYCHOTIC AND NEURODEGENRATIVE DISORDERS. Novartis AG (CH) 2011-08-31 EP disclosed
US-20100179160-A1 ORGANIC COMPOUNDS NOVARTIS AG 2010-07-15 US disclosed
US-7713976-B2 [(1H-indol-5-yl)-heteroaryloxy]-1-aza-bicylco[3.3.1]nonanes as cholinergic ligands of the n-AChR for the treatment of psychotic and neurodegenerative disorders NOVARTIS AG (CH) 2010-05-11 US disclosed
US-20080293731-A1 Organic Compounds NOVARTIS AG (CH) 2008-11-27 US disclosed
EP-1966209-A1 [ 1H- INDOL- 5 -YL) -HETEROARYLOXY] - (1-AZA-BICYCLO [3.3.1] NONANES AS CHOLINERGIC LIGANDS OF THE N-ACHR FOR THE TREATMENT OF PSYCHOTIC AND NEURODEGENERATIVE DISORDERS. Novartis AG (CH) 2008-09-10 EP disclosed
WO-2007068476-A1 [ (1H- INDOL- 5 -YL) -HETEROARYLOXY] - (1-AZA-BICYCLO [3.3.1] NONANES AS CHOLINERGIC LIGANDS OF THE N-ACHR FOR THE TREATMENT OF PSYCHOTIC AND NEURODEGENRATIVE DISORDERS. NOVARTIS AG (CH) 2007-06-21 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 (4 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-20120022074-A1 ORGANIC COMPOUNDS TPMT, DNMT1, DNMT3L CHRM1 1313/4885CHRM2 1798/4885HMOX1 2622/4885
US-20080293731-A1 Organic Compounds CYP1B1, CYP2B6, UGT2B7 CHRM1 977/4885CHRM2 1697/4885HMOX1 2721/4885
US-20140113908-A1 [(1H-INDOL-5-YL) - HETEROARYLOXY] - (1-AZA-BICYCLO [3.3.1] NONANES AS CHOLINERGIC LIGANDS OF THE N-ACHR FOR THE TREATMENT OF PSYCHOTIC AND NEURODEGENRATIVE DISORDERS CHRNA5, CHRNA7, CHRNA6 CHRM1 20/4885CHRM2 25/4885HMOX1 1946/4885
US-20100179160-A1 ORGANIC COMPOUNDS TPMT, DNMT1, DNMT3L CHRM1 1313/4885CHRM2 1798/4885HMOX1 2622/4885

“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.