SCHEMBL4999985

SCHEMBL4999985

CC(C)(C)CC(=O)C(=O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.32
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
FAAH O00519 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
SCHEMBL2392558 0.78 CA4 (0.36)
SCHEMBL1284011 0.78 HMGCR (0.33) HMGCRCHRM1TBXA2RADRA1A
SCHEMBL14914212 0.76 HMGCR (0.40) CA2HMGCRCHRM1TBXA2RADRA1A
SCHEMBL25007292 0.72 FAAH (0.42) CA2FAAH
SCHEMBL5070082 0.72 FAAH (0.37) FAAH
T-Butylacetic Acid SCHEMBL6567111 0.72 CA4 (0.42) CA2
SCHEMBL28462712 0.70 FAAH (0.36) FAAH
T-Butylacetic Acid SCHEMBL11218671 0.69
T-Butylacetic Acid SCHEMBL6500330 0.69
SCHEMBL3697055 0.69 HMGCR (0.41) CA2HMGCRCHRM1TBXA2RADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20080153860-A1 SPIROCYCLIC AZAADAMANTANE DERIVATIVES AND METHODS OF USE NR3C2, REN, GNE CA2 2667/4885HMGCR 191/4885CHRM1 2301/4885

“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.