Sugi Predict

Sugi Predict / Compounds / SCHEMBL455531

SCHEMBL455531

SCHEMBL455531

CC(=O)c1cnc2sccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ NAMPT P43490 1/20 0.36
▸ CYP2A6 P11509 1/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ HPGDS O60760 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ MKNK2 Q9HBH9 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MGAM O43451 1/20 0.34
▸ MKNK1 Q9BUB5 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ CSNK1G2 P78368 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ MAP4K5 Q9Y4K4 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL844135 0.84 MGAM (0.50) NPC1RAB9AALDH1A1NAMPTHPGD
SCHEMBL4508078 0.83 PSMD14 (0.45) SMN1; SMN2NAMPTHPGDSPSMD14STAMBP
SCHEMBL1680488 0.82 NPC1 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1HPGDS
SCHEMBL27790506 0.82 ADORA2A (0.38) NPC1RAB9ASMN1; SMN2NAMPTABCG2
Hydrochloric Acid SCHEMBL27679163 0.81 PSMD14 (0.44) SMN1; SMN2NAMPTHPGDSPSMD14STAMBP
SCHEMBL452095 0.80 MAPT (0.41) RAB9ASMN1; SMN2ABCG2MAPTHPGD
SCHEMBL452096 0.80 MAPT (0.41) RAB9ASMN1; SMN2ABCG2MAPTHPGD
SCHEMBL3607867 0.79 MAOB (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL454246 0.77 AGER (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1RXFP1
SCHEMBL27790510 0.74 GAA (0.39) SMN1; SMN2ABCG2MAPTMEN1GAA

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 NPC1 839/4885RAB9A 1599/4885SMN1; SMN2 4518/4885
US-20080153860-A1 SPIROCYCLIC AZAADAMANTANE DERIVATIVES AND METHODS OF USE NR3C2, REN, GNE NPC1 866/4885RAB9A 1513/4885SMN1; SMN2 4634/4885

“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.