SCHEMBL7146878

SCHEMBL7146878

N#CCCn1nnnc1[CH]Cc1ccc(-c2ccccc2)c(C(N)=O)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.36
FOLH1 Q04609 1/20 0.34
NAALAD2 Q9Y3Q0 2/20 0.34
BCAT2 O15382 1/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 3/20 0.32
ALOX15 P16050 2/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
TSHR P16473 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL7975688 0.78 ALDH1A1 (0.33) GHSRKMT2AKDM4EGLA
SCHEMBL3657167 0.72 BCAT2 (0.47) FOLH1BCAT2
SCHEMBL7143640 0.70 FOLH1 (0.40) FOLH1BCAT2
SCHEMBL9929714 0.63 BCAT2 (0.44) FOLH1BCAT2
SCHEMBL22114398 0.62 NAALAD2 (0.41) GHSRNAALAD2MAPTGLATSHR
Trifluoroacetic Acid SCHEMBL8924050 0.62 GHSR (0.51) GHSRNAALAD2GAA
SCHEMBL3707997 0.61 GHSR (0.46) GHSRNAALAD2ALOX15GLATSHR
SCHEMBL3703216 0.61 GHSR (0.46) GHSRNAALAD2ALOX15GLATSHR
SCHEMBL3703214 0.61 GHSR (0.46) GHSRNAALAD2ALOX15GLATSHR
SCHEMBL3169510 0.61 BCAT2 (0.51) FOLH1BCAT2

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 GHSR 1514/4885FOLH1 189/4885NAALAD2 19/4885

“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.