SCHEMBL452096

SCHEMBL452096

CC(=NO)c1cnc2sccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.35
CASP3 P42574 1/20 0.35
GFER P55789 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.34
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2D6 P10635 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL452095 1.00 MAPT (0.41) MAPTCYP2C19CYP1A2CYP3A4RAB9A
SCHEMBL27790510 0.81 GAA (0.39) MAPTSMN1; SMN2ABCG2LMNAKMT2A
SCHEMBL455531 0.80 NPC1 (0.40) MAPTRAB9ASMN1; SMN2ABCG2KMT2A
SCHEMBL844135 0.75 MGAM (0.50) CYP2C19CYP1A2RAB9AKDM4EHPGD
SCHEMBL10650277 0.74 SMN1; SMN2 (0.38) MAPTCYP2C19CYP1A2CYP3A4RAB9A
SCHEMBL4508078 0.73 PSMD14 (0.45) SMN1; SMN2KDM4E
SCHEMBL1680488 0.73 NPC1 (0.51) MAPTRAB9ASMN1; SMN2NPSR1POLB
SCHEMBL27790506 0.73 ADORA2A (0.38) MAPTRAB9ASMN1; SMN2POLBABCG2
Hydrochloric Acid SCHEMBL27679163 0.72 PSMD14 (0.44) SMN1; SMN2KDM4E
SCHEMBL11069346 0.70 MGAM (0.57) MAPTCYP2C19CYP1A2CYP3A4RAB9A

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 5 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
EP-2114943-A1 SPIROCYCLIC AZAADAMANTANE DERIVATIVES AND METHODS OF USE Abbott Laboratories (US) 2009-11-11 EP disclosed
WO-2008079570-A1 SPIROCYCLIC AZAADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2008-07-03 WO 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 MAPT 4366/4885CYP2C19 212/4885CYP1A2 92/4885
US-20080153860-A1 SPIROCYCLIC AZAADAMANTANE DERIVATIVES AND METHODS OF USE NR3C2, REN, GNE MAPT 4383/4885CYP2C19 202/4885CYP1A2 95/4885

“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.