SCHEMBL3618937

SCHEMBL3618937

COc1ccc(-c2ccc(OC3C4CCN(CC4)C3C)nn2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.42
CHRNA7 P36544 7/20 0.42
CHRNB2 P17787 6/20 0.42
CHRNB4 P30926 6/20 0.42
CHRNA3 P32297 6/20 0.42
CHRNA4 P43681 6/20 0.42
POLB P06746 4/20 0.40
HPGD P15428 3/20 0.40
MAPK1 P28482 3/20 0.40
PKM P14618 2/20 0.39
TP53 P04637 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ATM Q13315 1/20 0.38
BRD4 O60885 1/20 0.38
RAB9A P51151 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
SCHEMBL3618942 1.00 MAPT (0.42) MAPTALDH1A1MEN1GAAKMT2A
SCHEMBL3611605 0.84 CHRNA7 (0.43) MAPTALDH1A1MEN1KMT2ACHRNA7
SCHEMBL3615323 0.84 CHRNA7 (0.43) MAPTALDH1A1MEN1KMT2ACHRNA7
SCHEMBL3615327 0.84 CHRNA7 (0.43) MAPTALDH1A1MEN1KMT2ACHRNA7
SCHEMBL3616849 0.83 CHRNB2 (0.46) MAPTALDH1A1CHRNA7CHRNB2CHRNB4
SCHEMBL3616853 0.83 CHRNB2 (0.46) MAPTALDH1A1CHRNA7CHRNB2CHRNB4
SCHEMBL3617619 0.83 CHRNA7 (0.37) MAPTALDH1A1MEN1GAAKMT2A
SCHEMBL3617623 0.83 CHRNA7 (0.37) MAPTALDH1A1MEN1GAAKMT2A
SCHEMBL3615274 0.82 CHRNA7 (0.47) MAPTMEN1KMT2ACHRNA7CHRNB2
SCHEMBL3609510 0.81 CHRNA7 (0.47) ALDH1A1MEN1KMT2ACHRNA7CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9657010-B2 Substituted quinuclidines as alpha 7-nicotinic acetylcholine receptor activity modulators NOVARTIS AG (CH) 2017-05-23 US disclosed
US-20140057921-A1 3-(HETEROARYL-OXY)-2-ALKYL-1-AZA-BICYCLOALKYL DERIVATIVES AS ALPHA. 7-NACHR LIGANDS FOR THE TREATMENT OF CNS DISEASES NOVARTIS AG (CH) 2014-02-27 US disclosed
US-8609662-B2 3-(heteroaryl-oxy)-2-alkyl-1-aza-bicycloalkyl derivatives as alpha. 7-nachr ligands for the treatment of CNS diseases NOVARTIS AG (CH) 2013-12-17 US disclosed
EP-2457911-A1 3-(heteroaryl-oxy)-2-alkyl-1-aza-bicycloalkyl derivatives as alpha.7-nAChR ligands for the treatment of CNS diseases. Novartis AG (CH) 2012-05-30 EP disclosed
US-20100093746-A1 3-(HETEROARYL-OXY)-2-ALKYL-1-AZA-BICYCLOALKYL DERIVATIVES AS ALPHA. 7-NACHR LIGANDS FOR THE TREATMENT OF CNS DISEASES NOVARTIS AG 2010-04-15 US disclosed
US-20080194573-A1 Psychological and neurodegenerative disorders; nicotinic acetylcholine receptors NOVARTIS AG (CH) 2008-08-14 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 (3 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-20080194573-A1 Psychological and neurodegenerative disorders; nicotinic acetylcholine receptors CHRNA7, CHRNA5, CHRNA6 MAPT 268/4885ALDH1A1 1087/4885MEN1 4644/4885
US-20100093746-A1 3-(HETEROARYL-OXY)-2-ALKYL-1-AZA-BICYCLOALKYL DERIVATIVES AS ALPHA. 7-NACHR LIGANDS FOR THE TREATMENT OF CNS DISEASES CHRNA7, CHRNA5, CHRNA2 MAPT 1203/4885ALDH1A1 894/4885MEN1 4493/4885
US-20140057921-A1 3-(HETEROARYL-OXY)-2-ALKYL-1-AZA-BICYCLOALKYL DERIVATIVES AS ALPHA. 7-NACHR LIGANDS FOR THE TREATMENT OF CNS DISEASES CHRNA7, CHRNA5, CHRNA2 MAPT 1203/4885ALDH1A1 894/4885MEN1 4493/4885

“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.