SCHEMBL5100724

SCHEMBL5100724

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

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA2 P00918 3/20 0.32
CA1 P00915 2/20 0.32
TSHR P16473 3/20 0.32
CYP3A4 P08684 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DNM1 Q05193 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MAPK1 P28482 1/20 0.31
OPRM1 P35372 1/20 0.31

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
SCHEMBL5113016 0.86
SCHEMBL5114825 0.81 DNM1 (0.35) ALDH1A1TDP1CA2CA1TSHR
SCHEMBL20608 0.78
SCHEMBL13220267 0.74 ALDH1A1 (0.34) ALDH1A1TDP1CA2CA1TSHR
SCHEMBL5961086 0.73 TSHR (0.37) ALDH1A1TDP1CA2CA1TSHR
SCHEMBL29086618 0.73 OPRM1 (0.41) TSHRDNM1OPRM1
SCHEMBL387200 0.70
SCHEMBL8074240 0.70
SCHEMBL8433872 0.70 DNM1 (0.31) DNM1
SCHEMBL635647 0.69 DNM1 (0.41) ALDH1A1TDP1CA2CA1TSHR

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-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
EP-1556346-A1 1-PHENYLPYRROLIDINE-2-ONE-3-CARBOXAMIDES BASF AKTIENGESELLSCHAFT (DE) 2005-07-27 EP disclosed
WO-2004037787-A1 1-PHENYLPYRROLIDINE-2-ONE-3-CARBOXAMIDES BASF AKTIENGESELLSCHAFT (DE) 2004-05-06 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-20060019831-A1 1-phenylpyrrolidine-2-one-3-carboxamides RXFP1, REN, NPY1R ALDH1A1 378/4885TDP1 942/4885CA2 4/4885

“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.