SCHEMBL7141995

SCHEMBL7141995

CN(Cc1ccccc1)C(=O)[C@H]1C[C@@H](SC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.46
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
CPT2 P23786 1/20 0.43
CPT1A P50416 1/20 0.43
UCHL1 P09936 1/20 0.41
AGTR2 P50052 1/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
HSD11B1 P28845 1/20 0.36
RIPK1 Q13546 1/20 0.36
HTRA1 Q92743 1/20 0.35
CCR5 P51681 2/20 0.35

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
SCHEMBL7138767 1.00 TACR1 (0.46) TACR1JAK2JAK1CPT2CPT1A
SCHEMBL7138214 0.85 UCHL1 (0.44) TACR1JAK2JAK1UCHL1POLB
SCHEMBL5492058 0.83 HTRA1 (0.41) JAK2JAK1UCHL1AGTR2KMT2A
SCHEMBL5401096 0.80 NR1H2 (0.42) UCHL1POLBHSD11B1HTRA1
SCHEMBL8390205 0.77 GPR119 (0.39) TACR1JAK2JAK1UCHL1MEN1
SCHEMBL8201900 0.77 GPR119 (0.39) TACR1JAK2JAK1UCHL1MEN1
SCHEMBL8211858 0.77 GPR119 (0.39) TACR1JAK2JAK1UCHL1MEN1
SCHEMBL5404919 0.77 SRC (0.46) TACR1MEN1KMT2A
SCHEMBL8789793 0.77 SRC (0.46) TACR1MEN1KMT2A
SCHEMBL9034741 0.77 GPR119 (0.39) TACR1JAK2JAK1UCHL1MEN1

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 517/4885JAK2 892/4885JAK1 1850/4885

“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.