SCHEMBL7139409

SCHEMBL7139409

CCCCOC(=O)N1C[C@H](SC(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@H]1C(=O)N(C)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.38
BCHE P06276 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
TSHR P16473 3/20 0.33
KMT2A Q03164 2/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
UCHL1 P09936 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
CHRM2 P08172 5/20 0.32
CHRM4 P08173 5/20 0.32
CHRM1 P11229 5/20 0.32
CHRM3 P20309 5/20 0.32
CHRM5 P08912 2/20 0.32
HPGD P15428 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 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
SCHEMBL7165134 1.00 ECE1 (0.38) ECE1BCHEL3MBTL1TSHRKMT2A
SCHEMBL7138214 0.84 UCHL1 (0.44) UCHL1POLB
SCHEMBL9034973 0.84 UCHL1 (0.33) KMT2AUCHL1CHRM3
SCHEMBL9032678 0.84 UCHL1 (0.33) KMT2AUCHL1CHRM3
SCHEMBL9032670 0.84 UCHL1 (0.33) KMT2AUCHL1CHRM3
SCHEMBL7139042 0.82 ECE1 (0.40) ECE1BCHEL3MBTL1TSHRKMT2A
SCHEMBL5415509 0.81 ECE1 (0.41) ECE1BCHEL3MBTL1TSHRKMT2A
SCHEMBL7141995 0.72 TACR1 (0.46) KMT2ARAB9AUCHL1MEN1POLB
SCHEMBL7138767 0.72 TACR1 (0.46) KMT2ARAB9AUCHL1MEN1POLB
SCHEMBL7811618 0.71 ALDH1A1 (0.42) KDM4ECHRM1CHRM3CHRM5ATM

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
EP-1303485-A1 PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
US-6541638-B2 (2S,4S)-1-(4-Mercapto-1-(naphthalene-2-sulfonyl)-pyrrolidine-2 -carbonyl)-piperidine-4-carboxylic acid ethyl ester for example; zinc protease inhibitors; for treating diseases associated with vasoconstriction HOFFMAN-LA ROCHE INC. 2003-04-01 US disclosed
US-20020049243-A1 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. 2002-04-25 US disclosed
WO-2002006222-A1 PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 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-20020049243-A1 Pyrrolidine derivatives PREP, PEPD, DNPEP ECE1 4/4885BCHE 201/4885L3MBTL1 3514/4885

“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.