SCHEMBL7150859

SCHEMBL7150859

CN(Cc1ccccc1)C(=O)[C@H]1C[C@H](S)CN1C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.46
UBE2M P61081 1/20 0.45
DCUN1D1 Q96GG9 1/20 0.45
CCR1 P32246 8/20 0.45
MME P08473 1/20 0.44
ACE P12821 1/20 0.44
ECE1 P42892 1/20 0.44
CPT2 P23786 1/20 0.42
CPT1A P50416 1/20 0.42

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
SCHEMBL7149793 1.00 TACR1 (0.46) TACR1UBE2MDCUN1D1CCR1MME
SCHEMBL7137929 0.83 ACHE (0.46) MMEACEECE1CPT2CPT1A
SCHEMBL7144165 0.81 CPT2 (0.44) TACR1CCR1CPT2CPT1A
SCHEMBL7140020 0.79 MME (0.71) TACR1MMEACEECE1
SCHEMBL7140028 0.79 MME (0.71) TACR1MMEACEECE1
SCHEMBL7137783 0.79 CPT2 (0.48) TACR1CPT2CPT1A
SCHEMBL7135937 0.78 ECE1 (0.63) MMEACEECE1CPT2CPT1A
SCHEMBL7134758 0.78 ECE1 (0.63) MMEACEECE1CPT2CPT1A
SCHEMBL7135953 0.78 ECE1 (0.63) MMEACEECE1CPT2CPT1A
SCHEMBL7140190 0.77 CPT2 (0.49) CPT2CPT1A

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 TACR1 517/4885UBE2M 3129/4885DCUN1D1 3217/4885

“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.