SCHEMBL18079754

SCHEMBL18079754

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.61
ADRA1A P35348 2/20 0.61
CACNB3 P54284 1/20 0.61
CACNA1C Q13936 1/20 0.61
PGR P06401 1/20 0.61
HTR2B P41595 1/20 0.61
CACNA2D2 Q9NY47 1/20 0.61
GPR84 Q9NQS5 4/20 0.39
CHRM1 P11229 1/20 0.39
AKR1A1 P14550 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RNPEP Q9H4A4 1/20 0.37

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
SCHEMBL15756398 0.84 GPR84 (0.56) CACNA2D1ADRA1ACACNB3CACNA1CPGR
SCHEMBL1410027 0.84 CACNA2D1 (0.74) CACNA2D1ADRA1ACACNB3CACNA1CPGR
SCHEMBL967149 0.84 ADRA1A (0.48) CACNA2D1ADRA1ACACNB3CACNA1CPGR
SCHEMBL4412290 0.84 CACNA2D1 (0.74) CACNA2D1ADRA1ACACNB3CACNA1CPGR
SCHEMBL1335604 0.84 ADRA1A (0.48) CACNA2D1ADRA1ACACNB3CACNA1CPGR
SCHEMBL5695204 0.83 CACNA2D1 (0.47) CACNA2D1ADRA1ACACNB3CACNA1CPGR
SCHEMBL27800850 0.83 CACNA2D1 (0.61) CACNA2D1ADRA1ACACNB3CACNA1CPGR
SCHEMBL27821717 0.83 CACNA2D1 (0.61) CACNA2D1ADRA1ACACNB3CACNA1CPGR
SCHEMBL27800888 0.83 CACNA2D1 (0.61) CACNA2D1ADRA1ACACNB3CACNA1CPGR
SCHEMBL12878966 0.82 CACNA2D1 (0.65) CACNA2D1ADRA1ACACNB3CACNA1CPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160266153-A1 IMMUNOASSAY FOR PREGABALIN RANDOX LABORATORIES LIMITED (GB) 2016-09-15 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-20160266153-A1 IMMUNOASSAY FOR PREGABALIN GABRG1, GABRG3, GABRG2 CACNA2D1 84/4885ADRA1A 1286/4885CACNB3 27/4885

“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.