SCHEMBL7250078

SCHEMBL7250078

CCCC(CC(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.43
AKR1A1 P14550 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
NFKB1 P19838 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL7173574 1.00 CHRM1 (0.43) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28486916 0.91 CA2 (0.46) CTSSCTSKMEN1GAAKMT2A
SCHEMBL28086823 0.86 KMT2A (0.39) CHRM1ADRA1ATDP1MEN1GAA
SCHEMBL10291076 0.86 HDAC1 (0.46) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3996454 0.85 CTSK (0.34) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3996456 0.85 CTSK (0.34) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL21996181 0.85 CA2 (0.37) CTSSCTSKMEN1GAAKMT2A
SCHEMBL28570650 0.84 HDAC1 (0.42) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL13575686 0.82 CA2 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3965986 0.82 CA2 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C

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-6525044-B2 Treatment of neurological disorders related to beta -amyloid production such as Alzheimer's disease and Down's Syndrome. BRISTOL-MYERS SQUIBB COMPANY 2003-02-25 US disclosed
EP-1261610-A2 SUCCINOYLAMINO CARBOCYCLES AND HETEROCYCLES AS INHIBITORS OF A-BETA PROTEIN PRODUCTION Bristol-Myers Squibb Pharma Company (US) 2002-12-04 EP disclosed
US-20020055501-A1 Succinoylamino carbocycles and heterocycles as inhibitors of a-beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-05-09 US disclosed
WO-2001060826-A2 SUCCINOYLAMINO CARBOCYCLES AND HETEROCYCLES AS INHIBITORS OF Aβ PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-08-23 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-20020055501-A1 Succinoylamino carbocycles and heterocycles as inhibitors of a-beta protein production APP, APH1A, APH1B CHRM1 3706/4885AKR1A1 1880/4885CHRM3 4567/4885

“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.