SCHEMBL4942950

SCHEMBL4942950

CCCCCc1ccc(C(=O)N2CC(=NOCC)C[C@H]2C(=O)NCc2ccc(OC)c(OC)c2)c(=O)o1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CFTR P13569 2/20 0.38
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL4942949 1.00 EPHX2 (0.39) EPHX2CYP3A4CYP2C19CYP2C9SMN1; SMN2
SCHEMBL4945242 0.92 EPHX2 (0.38) EPHX2CYP3A4CYP2C19CYP2C9SMN1; SMN2
SCHEMBL4945246 0.92 EPHX2 (0.38) EPHX2CYP3A4CYP2C19CYP2C9SMN1; SMN2
SCHEMBL4942922 0.85 EPHX2 (0.40) EPHX2CYP3A4CYP2C19CYP2C9SMN1; SMN2
SCHEMBL4942929 0.85 EPHX2 (0.40) EPHX2CYP3A4CYP2C19CYP2C9SMN1; SMN2
SCHEMBL4943701 0.84 EPHX2 (0.39) EPHX2CYP3A4CYP2C19CYP2C9SMN1; SMN2
SCHEMBL4943697 0.84 EPHX2 (0.39) EPHX2CYP3A4CYP2C19CYP2C9SMN1; SMN2
SCHEMBL4943333 0.79 OXTR (0.40) CYP2C19CYP2C9SMN1; SMN2ALDH1A1POLB
SCHEMBL4943308 0.79 OXTR (0.40) CYP2C19CYP2C9SMN1; SMN2ALDH1A1POLB
SCHEMBL6094122 0.78 CFTR (0.38) SMN1; SMN2ALDH1A1CFTRPOLBHSD17B10

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-20080167318-A1 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2008-07-10 US disclosed
EP-1268419-B1 PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2006-06-21 EP disclosed
EP-1268418-B1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2006-06-14 EP disclosed
US-7018988-B2 Pharmaceutically active pyrrolidine derivatives as Bax inhibitors APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-03-28 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-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 EPHX2 3175/4885CYP3A4 1639/4885CYP2C19 812/4885

“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.