SCHEMBL5411615

SCHEMBL5411615

CCCCOC(=O)N1C[C@H](SCc2ccc(OC)cc2)C[C@H]1CCC(=O)c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
KMT2A Q03164 2/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
SLC18A3 Q16572 4/20 0.35
DRD2 P14416 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
HTRA1 Q92743 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL7147249 1.00 HTR7 (0.37) HTR7RAB9ATDP1HRH2HRH1
SCHEMBL5401313 0.87 RAB9A (0.39) RAB9ATDP1KMT2AMAPTSLC18A3
SCHEMBL5420138 0.84 HTRA1 (0.41) RAB9ATDP1KMT2AMAPTSLC18A3
SCHEMBL5420141 0.84 HTRA1 (0.41) RAB9ATDP1KMT2AMAPTSLC18A3
SCHEMBL5421519 0.84 HTRA1 (0.36) KMT2AALDH1A1CHRM2CHRM1HTRA1
SCHEMBL5401106 0.84 SIGMAR1 (0.39) KMT2AALDH1A1CHRM2CHRM1HTRA1
SCHEMBL5404264 0.80 ECE1 (0.35) HRH2HRH1KMT2AALDH1A1CHRM2
SCHEMBL5398886 0.80 CHRM2 (0.36) KMT2AALDH1A1CHRM2CHRM1HTRA1
SCHEMBL5409681 0.80 RAB9A (0.40) RAB9ATDP1SLC18A3DRD2
SCHEMBL5409672 0.80 RAB9A (0.40) RAB9ATDP1SLC18A3DRD2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189756-B2 Pyrrolidine derivatives HOFFMAN-LA ROCHE INC. (US) 2007-03-13 US disclosed
US-20040242672-A1 Useful as inhibitors of metalloproteases, e.g. zinc proteases; effective in treating disease states associated with vasoconstriction such as high blood pressure, coronary disorders, cardiac insufficiency, renal and myocardial ischaemia, renal insufficiency, dialysis, cerebral ischaemia AEBI JOHANNES (CH) 2004-12-02 US disclosed
US-6790860-B2 USEFUL AS INHIBITORS OF METALLOPROTEASES, E.G. ZINC PROTEASES; EFFECTIVE IN TREATING DISEASE STATES ASSOCIATED WITH VASOCONSTRICTION HOFFMANN-LA ROCHE INC. 2004-09-14 US disclosed
US-20030199569-A1 Pyrrolidine derivatives AEBI JOHANNES (CH) 2003-10-23 US disclosed
EP-1303486-A1 PYRROLIDINE DERIVATIVES AS METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
US-20020040146-A1 Pyrrolidine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2002-04-04 US disclosed
WO-2002008185-A1 PYRROLIDINE DERIVATIVES AS METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-31 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 (3 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-20030199569-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 HTR7 2975/4885RAB9A 2939/4885TDP1 648/4885
US-20020040146-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 HTR7 2975/4885RAB9A 2939/4885TDP1 648/4885
US-20040242672-A1 Useful as inhibitors of metalloproteases, e.g. zinc proteases; effective in treating disease states associated with vasoconstriction such as high blood pressure, coronary disorders, cardiac insufficiency, renal and myocardial ischaemia, renal insufficiency, dialysis, cerebral ischaemia MMP1, PEPD, MMP25 HTR7 3768/4885RAB9A 1961/4885TDP1 1854/4885

“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.