SCHEMBL454246

SCHEMBL454246

CC(=O)Nc1cnc2sccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGER Q15109 1/20 0.44
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
KDM4E B2RXH2 6/20 0.42
MAPT P10636 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
GLA P06280 1/20 0.42
TNNI3 P19429 1/20 0.42
TNNT2 P45379 1/20 0.42
TNNC1 P63316 1/20 0.42
RUNX1 Q01196 1/20 0.42
CBFB Q13951 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
TP53 P04637 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41

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
SCHEMBL10648191 0.76 LDHA (0.46) AGERNPC1RAB9AKDM4EMAPT
SCHEMBL9933772 0.74 PTK2 (0.41) AGERNPC1RAB9AKDM4EMEN1
SCHEMBL1680488 0.73 NPC1 (0.51) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL879571 0.72 KDM4E (0.70) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL8473452 0.72 LDHA (0.55) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL844135 0.71 MGAM (0.50) NPC1RAB9AKDM4EL3MBTL1ALDH1A1
SCHEMBL23163115 0.71 MASP2 (0.40) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL4508078 0.70 PSMD14 (0.45) KDM4ESMN1; SMN2L3MBTL1
SCHEMBL6400583 0.70 MASP2 (0.37) MAPTTP53ALDH1A1
SCHEMBL10652292 0.70 MAP4K4 (0.36) ROCK1KDM4EMAPTMEN1KMT2A

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-20120065219-A1 SPIROCYCLIC AZAADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2012-03-15 US disclosed
US-8076350-B2 3H-(4's)-1'-azaspiro[benzofuran-2,4']-tricyclo[3.3.1.13,7]decane; for therapy of memory disorder, cognitive disorder, neurodegeneration, and neurodevelopmental disorder; attention deficit disorder, attention deficit hyperactivity disorder (ADHD), Alzheimer's disease (AD), mild cognitive impairment ABBOTT LABORATORIES (US) 2011-12-13 US disclosed
CN-101568541-A Spirocyclic azaadamantane derivatives and methods of use ABBOTT LAB (US) 2009-10-28 CN disclosed
US-20080153860-A1 SPIROCYCLIC AZAADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2008-06-26 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-20120065219-A1 SPIROCYCLIC AZAADAMANTANE DERIVATIVES AND METHODS OF USE NR3C2, REN, GNE AGER 795/4885ROCK2 1504/4885ROCK1 1521/4885
US-20080153860-A1 SPIROCYCLIC AZAADAMANTANE DERIVATIVES AND METHODS OF USE NR3C2, REN, GNE AGER 852/4885ROCK2 1327/4885ROCK1 1405/4885

“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.