SCHEMBL2013635

SCHEMBL2013635

Cc1cc(N)cc(CN2CCCC2)c1N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 3/20 0.44
ACHE P22303 2/20 0.43
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
TP53 P04637 1/20 0.38
HSD17B10 Q99714 2/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 3/20 0.37
ATM Q13315 2/20 0.37
DRD2 P14416 1/20 0.36
MAOA P21397 1/20 0.36
MEN1 O00255 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
CRHR1 P34998 1/20 0.36
MAPK1 P28482 2/20 0.36
CYP1A2 P05177 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
SCHEMBL2013064 0.86 CYP2A13 (0.46) CYP2A13KDM4EPOLBHRH3TP53
SCHEMBL2014348 0.84 ACHE (0.44) ACHEKDM4EPOLBKMT2AMAPK1
SCHEMBL6625854 0.81 CRHBP (0.46) ACHEKDM4EPOLBTP53HSD17B10
SCHEMBL23240235 0.79 CYP2A13 (0.53) CYP2A13KDM4EPOLBTP53HSD17B10
SCHEMBL2015799 0.78 CTSB (0.52) ACHEKDM4EPOLBCYP2C9KMT2A
SCHEMBL3399817 0.73 CYP2A13 (0.61) CYP2A13ACHEKDM4EPOLBHSD17B10
SCHEMBL4262170 0.73 CYP2A13 (0.61) CYP2A13ACHEKDM4EPOLBTP53
SCHEMBL23153782 0.72 PIK3CA (0.44) ACHEKDM4ECRHBPCRHR2CYP1A2
SCHEMBL23213276 0.71 CYP2A13 (0.51) CYP2A13KDM4EPOLBHRH3HSD17B10
SCHEMBL29739690 0.71 CYP2A13 (0.51) CYP2A13KDM4EPOLBHRH3HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680095-B2 Heterocycle compounds and uses thereof for the prevention or treatment of diseases involving formation of amyloid plaques and/or where a dysfunction of the APP metabolism occurs INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-03-25 US disclosed
US-20120283256-A1 NEW HETEROCYCLE COMPOUNDS AND USES THEREOF FOR THE PREVENTION OR TREATMENT OF DISEASES INVOLVING FORMATION OF AMYLOID PLAQUES AND/OR WHERE A DYSFUNCTION OF THE APP METABOLISM OCCURS UNIVERSITE LILLE 1 - SCIENCES ET TECHNOLOGIES (FR) 2012-11-08 US disclosed
EP-2513062-A1 7-CHLORO-QUINOLIN-4-AMINE COMPOUNDS AND USES THEREOF FOR THE PREVENTION OR TREATMENT OF DISEASES INVOLVING FORMATION OF AMYLOID PLAQUES AND/OR WHERE A DYSFUNCTION OF THE APP METABOLISM OCCURS Institut National de la Santé et de la Recherche Médicale (FR) 2012-10-24 EP disclosed
WO-2011073322-A1 7-CHLORO-QUINOLIN-4-AMINE COMPOUNDS AND USES THEREOF FOR THE PREVENTION OR TREATMENT OF DISEASES INVOLVING FORMATION OF AMYLOID PLAQUES AND/OR WHERE A DYSFUNCTION OF THE APP METABOLISM OCCURS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-06-23 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 (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-20120283256-A1 NEW HETEROCYCLE COMPOUNDS AND USES THEREOF FOR THE PREVENTION OR TREATMENT OF DISEASES INVOLVING FORMATION OF AMYLOID PLAQUES AND/OR WHERE A DYSFUNCTION OF THE APP METABOLISM OCCURS APP, BACE1, PSEN1 CYP2A13 771/4885ACHE 66/4885KDM4E 4794/4885

“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.