SCHEMBL1017423

SCHEMBL1017423

CC(=O)Nc1ccc(C#Cc2ccc(OC3CN4CCC3CC4)nn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRNA7 P36544 5/20 0.41
NPC1 O15118 1/20 0.41
ACACB O00763 6/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
OGA O60502 1/20 0.38
LSS P48449 1/20 0.38
CHRM2 P08172 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL3080514 1.00 RAB9A (0.44) RAB9AMEN1KMT2AKDM4EALDH1A1
SCHEMBL3088580 1.00 RAB9A (0.44) RAB9AMEN1KMT2AKDM4EALDH1A1
SCHEMBL5624115 0.94 RAB9A (0.39) RAB9AMEN1KMT2AKDM4EALDH1A1
SCHEMBL1018516 0.89 GRM5 (0.45) ALDH1A1CHRNA7BCHEACHEOGA
SCHEMBL1018366 0.84 GAA (0.42) ALDH1A1CHRNA7BCHEACHEOGA
SCHEMBL3085002 0.82 CHRNA7 (0.43) CHRNA7LSSCHRM2
SCHEMBL1020348 0.82 CHRNA7 (0.43) CHRNA7LSSCHRM2
SCHEMBL3073508 0.82 CHRNA7 (0.43) CHRNA7LSSCHRM2
SCHEMBL1018510 0.82 LSS (0.48) RAB9ACHRNA7NPC1LSSCHRM2
SCHEMBL1019786 0.82 CHRNA7 (0.44) CHRNA7LSSCHRM2

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-1802616-B1 NOVEL AZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH AS (DK) 2011-01-12 EP claimed
US-20100227869-A1 ENANTIOPURE QUINUCLIDINYLOXY PYRIDAZINES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS NEUROSEARCH A/S (DK) 2010-09-09 US claimed
US-7652010-B2 Azabicyclic aryl derivatives and their medical use NEUROSEARCH A/S (DK) 2010-01-26 US claimed
EP-1987029-B1 ENANTIOPURE QUINUCLIDINYLOXY PYRIDAZINES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS NEUROSEARCH AS (DK) 2010-01-13 EP claimed
US-20070299082-A1 Novel Azabicyclic Aryl Derivatives and Their Medical Use ANIONA APS (DK) 2007-12-27 US claimed
EP-1802616-B1 NOVEL AZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH AS (DK) 2011-01-12 EP disclosed
US-20100227869-A1 ENANTIOPURE QUINUCLIDINYLOXY PYRIDAZINES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS NEUROSEARCH A/S (DK) 2010-09-09 US disclosed
US-7652010-B2 Azabicyclic aryl derivatives and their medical use NEUROSEARCH A/S (DK) 2010-01-26 US disclosed
EP-1987029-B1 ENANTIOPURE QUINUCLIDINYLOXY PYRIDAZINES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS NEUROSEARCH AS (DK) 2010-01-13 EP disclosed
US-20070299082-A1 Novel Azabicyclic Aryl Derivatives and Their Medical Use ANIONA APS (DK) 2007-12-27 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 (2 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-20070299082-A1 Novel Azabicyclic Aryl Derivatives and Their Medical Use CHRNA6, CHRNA10, CHRNA5 RAB9A 2617/4885MEN1 4620/4885KMT2A 1559/4885
US-20100227869-A1 ENANTIOPURE QUINUCLIDINYLOXY PYRIDAZINES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA5, CHRNA6, CHRNA2 RAB9A 2290/4885MEN1 4266/4885KMT2A 3094/4885

“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.