SCHEMBL7140249

SCHEMBL7140249

O=C([C@@H]1C[C@@H](S)CN1C(=O)OCc1ccccc1)N1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CTRB1 P17538 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL7143125 0.88 SMN1; SMN2 (0.63) PREPSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL7143120 0.88 SMN1; SMN2 (0.63) PREPSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL7143119 0.88 SMN1; SMN2 (0.63) PREPSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL9119637 0.86 DPP8 (0.45) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL10595784 0.86 POLB (0.56) PREPSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL9640983 0.86 POLB (0.56) PREPSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL9728223 0.85 DPP8 (0.46)
SCHEMBL5345594 0.84 POLB (0.56) PREPSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL7143194 0.84 MAPT (0.52) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL7143192 0.84 MAPT (0.52) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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 PREP 1/4885SMN1; SMN2 3409/4885NPC1 1617/4885

“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.