SCHEMBL373015

SCHEMBL373015

O=C(c1ccc(-c2cccnc2)s1)N1CCN2CCC1CC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.56
MKNK2 Q9HBH9 1/20 0.56
CYP3A4 P08684 2/20 0.52
CYP2A6 P11509 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
BRAF P15056 8/20 0.48
CHRNA7 P36544 2/20 0.43
HSD17B1 P14061 2/20 0.42

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
SCHEMBL5425952 0.93 MKNK1 (0.54) MKNK1MKNK2CYP3A4CYP2A6CYP2C9
SCHEMBL4701573 0.87 HDAC3 (0.48) MKNK1MKNK2HDAC3HDAC4HDAC1
SCHEMBL4700617 0.87 CHRNA7 (0.52) HDAC1HDAC6CHRNA7
SCHEMBL4700233 0.82 BRAF (0.44) CYP2C9BRAFCHRNA7CHRNB2CHRNA4
SCHEMBL4700217 0.80 KDM4E (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5419946 0.80 CHRNA7 (0.56) HDAC1HDAC6CHRNA7
SCHEMBL4701174 0.80 MKNK1 (0.55) MKNK1MKNK2CHRNA7
SCHEMBL4703053 0.80 DYRK1A (0.43) CYP2C9CHRNA7
SCHEMBL4700154 0.79 ESRRG (0.43) CHRNA7
SCHEMBL4700611 0.78 KMO (0.52) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539765-B1 BIARYL DIAZABICYCLOALKANE AMIDES AS NICOTINIC ACETYLCHOLINE AGONISTS ASTRAZENECA AB (SE) 2008-12-10 EP claimed
US-20050239774-A1 Biaryl diazabicycloalkane amides as nicotinic acetylcholine agonists ASTRAZENECA AB (SE) 2005-10-27 US claimed
US-20140234270-A1 TREATMENT WTH ALPHAT SELECTIVE LIGANDS TARGACEPT, INC. (US) 2014-08-21 US disclosed
EP-2484363-A1 (2S,3R)-N-(2-((3-pyridinyl)methyl)-1-azabicyclo[2.2.2]oct-3-yl)-5-methylthiophene-2-carboxamide Targacept, Inc. (US) 2012-08-08 EP disclosed
EP-2409703-A1 Treatment with alpha7-selective ligands Targacept, Inc. (US) 2012-01-25 EP disclosed
US-20110262407-A1 TREATMENT WITH ALPHA7 SELECTIVE LIGANDS TARGACEPT, INC. (US) 2011-10-27 US disclosed
US-20110124678-A1 TREATMENT WITH ALPHA 7-SELECTIVE LIGANDS TARGACEPT, INC. (US) 2011-05-26 US disclosed
EP-2185152-A2 ALPHA7 NACHR AGONISTS FOR TREATING OR PREVENTING METABOLIC DISORDERS Targacept Inc. (US) 2010-05-19 EP disclosed
WO-2009018511-A2 ALPHA7 NACHR AGONISTS FOR TREATING OR PREVENTING METABOLIC DISORDERS TARGACEPT, INC. (US) 2009-02-05 WO disclosed
EP-1539765-B1 BIARYL DIAZABICYCLOALKANE AMIDES AS NICOTINIC ACETYLCHOLINE AGONISTS ASTRAZENECA AB (SE) 2008-12-10 EP disclosed
EP-1539765-B1 BIARYL DIAZABICYCLOALKANE AMIDES AS NICOTINIC ACETYLCHOLINE AGONISTS ASTRAZENECA AB (SE) 2008-12-10 EP disclosed
US-20050239774-A1 Biaryl diazabicycloalkane amides as nicotinic acetylcholine agonists ASTRAZENECA AB (SE) 2005-10-27 US disclosed
EP-1539765-A1 BIARYL DIAZABICYCLOALKANE AMIDES AS NICOTINIC ACETYLCHOLINE AGONISTS AstraZeneca AB (SE) 2005-06-15 EP disclosed
WO-2004016617-A1 BIARYL DIAZABICYCLOALKANE AMIDES AS NICOTINIC ACETYLCHOLINE AGONISTS ASTRAZENECA AB (SE) 2004-02-26 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-20140234270-A1 TREATMENT WTH ALPHAT SELECTIVE LIGANDS CHRNA7, CHRNA2, CHRNA4 MKNK1 2224/4885MKNK2 2044/4885CYP3A4 4599/4885
US-20110124678-A1 TREATMENT WITH ALPHA 7-SELECTIVE LIGANDS CHRNA7, CHRNA1, CHRNG MKNK1 2912/4885MKNK2 2550/4885CYP3A4 1379/4885
US-20050239774-A1 Biaryl diazabicycloalkane amides as nicotinic acetylcholine agonists CHRNA1, CHRNB1, CHRNA2 MKNK1 3267/4885MKNK2 2588/4885CYP3A4 727/4885
US-20110262407-A1 TREATMENT WITH ALPHA7 SELECTIVE LIGANDS CHRNA7, CHRNA4, CHRNA2 MKNK1 1964/4885MKNK2 1496/4885CYP3A4 4448/4885

“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.