SCHEMBL5108244

SCHEMBL5108244

[CH2]C(CCCC)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.33
DNM1 Q05193 2/20 0.33
CA1 P00915 2/20 0.33
MAPK1 P28482 1/20 0.32
CTSK P43235 1/20 0.30
ALDH1A1 P00352 2/20 0.30
TDP1 Q9NUW8 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
SCHEMBL5857518 0.93 OPRM1 (0.36) CA2DNM1
SCHEMBL9422673 0.89 SMPD1 (0.37) CA2DNM1
SCHEMBL5101220 0.85
SCHEMBL7562904 0.76
SCHEMBL11051517 0.75 SMPD1 (0.39) CA2DNM1CA1MAPK1CTSK
SCHEMBL235678 0.74
SCHEMBL15931246 0.73 DNM1 (0.35) CA2DNM1CA1MAPK1CTSK
SCHEMBL4483055 0.73 CA2 (0.31) CA2DNM1CA1MAPK1
SCHEMBL387200 0.72
SCHEMBL8074240 0.72

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-7355053-B2 1-phenylpyrrolidine-2-one-3-carboxamides BASF AKTIENGESELLSCHAFT (DE) 2008-04-08 US disclosed
US-20060019831-A1 1-phenylpyrrolidine-2-one-3-carboxamides BASF AKTIENGESELLSCHAFT (DE) 2006-01-26 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-20060019831-A1 1-phenylpyrrolidine-2-one-3-carboxamides RXFP1, REN, NPY1R CA2 4/4885DNM1 1324/4885CA1 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.