SCHEMBL5114825

SCHEMBL5114825

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.35
OPRM1 P35372 1/20 0.33
ALDH1A1 P00352 4/20 0.31
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 3/20 0.31
LMNA P02545 2/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CYP3A4 P08684 1/20 0.30
FDPS P14324 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
SCHEMBL29086618 0.91 OPRM1 (0.41) DNM1OPRM1TSHRLMNA
SCHEMBL5107760 0.84
SCHEMBL5100724 0.81 ALDH1A1 (0.33) DNM1OPRM1ALDH1A1TDP1TSHR
SCHEMBL7468783 0.81 TSHR (0.40) TSHRSMN1; SMN2CYP3A4
SCHEMBL28956396 0.78 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL11636019 0.76
SCHEMBL21722647 0.75 DNM1 (0.31) DNM1OPRM1
SCHEMBL15013921 0.75 HSD17B10 (0.37) TDP1
SCHEMBL387200 0.74
SCHEMBL8074240 0.74

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 DNM1 1324/4885OPRM1 1640/4885ALDH1A1 378/4885

“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.