SCHEMBL7143845

SCHEMBL7143845

CN(Cc1ccccc1)C(=O)[C@@H]1C[C@@H](SC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
CTSC P53634 3/20 0.39
RIPK1 Q13546 1/20 0.38
MAOA P21397 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
TACR1 P25103 3/20 0.37
KMT2A Q03164 1/20 0.36

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
SCHEMBL7137595 0.81 CTSC (0.33) CTSC
SCHEMBL16555962 0.79 GRIK1 (0.41) CTSC
SCHEMBL7143064 0.79 GRIK1 (0.41) CTSC
SCHEMBL8201898 0.74 CTSC (0.34) CTSCKMT2A
SCHEMBL8214977 0.74 CTSC (0.34) CTSCKMT2A
SCHEMBL7146717 0.74 RAB9A (0.38) POLBNPC1RAB9AKMT2A
SCHEMBL5412644 0.74 RAB9A (0.38) POLBNPC1RAB9AKMT2A
SCHEMBL7137589 0.73 CTSC (0.41) CTSC
SCHEMBL7138767 0.72 TACR1 (0.46) POLBRAB9ARIPK1TACR1KMT2A
SCHEMBL7141995 0.72 TACR1 (0.46) POLBRAB9ARIPK1TACR1KMT2A

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 POLB 1465/4885NPC1 1617/4885RAB9A 2425/4885

“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.