SCHEMBL406396

SCHEMBL406396

[CH2]CC(Cc1ccccc1)C1=COCO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.39
EPHX1 P07099 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
POLB P06746 1/20 0.32
TAAR1 Q96RJ0 3/20 0.32
SLC6A2 P23975 2/20 0.32
MAOA P21397 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
CYP2A6 P11509 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
MAPT P10636 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP1A2 P05177 1/20 0.31
MEN1 O00255 2/20 0.30

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
SCHEMBL3208887 0.88 MIF (0.37) MIFEPHX1HPGDSMN1; SMN2GAA
SCHEMBL938718 0.84 EPHX1 (0.37) MIFEPHX1PKMTAAR1SLC6A2
SCHEMBL3748652 0.84 TRPA1 (0.40) MIFEPHX1HPGDSMN1; SMN2PKM
SCHEMBL300073 0.83 EPHX1 (0.35) MIFEPHX1PKMTAAR1SLC6A2
Hydrochloric Acid SCHEMBL3569025 0.83 EPHX1 (0.36) MIFEPHX1PKMTAAR1SLC6A2
SCHEMBL1430902 0.80 MIF (0.56) MIFHPGDSMN1; SMN2GAAPKM
SCHEMBL8249227 0.80 ESR1 (0.39) MIFEPHX1SMN1; SMN2L3MBTL1
SCHEMBL3558393 0.80 MIF (0.36) MIFEPHX1HPGDSMN1; SMN2GAA
SCHEMBL506238 0.78 LMNA (0.37) EPHX1PKMTAAR1SLC6A2MAOA
SCHEMBL15547346 0.78 MTNR1A (0.43) MIFHPGDSMN1; SMN2GAAPKM

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716160-B1 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-29 EP claimed
US-20090036409-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2009-02-05 US claimed
US-7459444-B2 Inhibitors of chymase JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-02 US claimed
JP-2007518807-A 2007-07-12 JP claimed
EP-1716160-A2 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-02 EP claimed
US-20050176769-A1 Novel inhibitors of chymase JANSSEN PHARMACEUTICA, N.V. (BE) 2005-08-11 US claimed
WO-2005073214-A2 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA, N.V. (BE) 2005-08-11 WO claimed
US-8546358-B2 Method of treating asthma JANSSEN PHARMACEUTICA NV (BE) 2013-10-01 US disclosed
US-20130131401-A1 PROCESS FOR THE PREPARATION OF CHYMASE MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2013-05-23 US disclosed
US-8378122-B2 Process for the preparation of chymase modulators JANSSEN PHARMACEUTICA NV. (BE) 2013-02-19 US disclosed
US-20120309986-A1 PROCESS FOR THE PREPARATION OF CHYMASE MODULATORS ANZALONE LUIGI (US) 2012-12-06 US disclosed
US-8263785-B2 Process for the preparation of chymase modulators JANSSEN PHARMACEUTICA N.V. (BE) 2012-09-11 US disclosed
US-20120022022-A1 NOVEL INHIBITORS OF CHYMASE HAWKINS MICHAEL J (US) 2012-01-26 US disclosed
US-20090036409-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2009-02-05 US disclosed
US-7459444-B2 Inhibitors of chymase JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-02 US disclosed
US-20080096844-A1 Novel inhibitors of chymase JANSSEN PHARMACEUTICA, N.V. (BE) 2008-04-24 US disclosed
WO-2008048668-A2 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA, N.V. (BE) 2008-04-24 WO disclosed
EP-1716160-A2 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-02 EP disclosed
US-20050176769-A1 Novel inhibitors of chymase JANSSEN PHARMACEUTICA, N.V. (BE) 2005-08-11 US disclosed
WO-2005073214-A2 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA, N.V. (BE) 2005-08-11 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 (6 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-20080096844-A1 Novel inhibitors of chymase CMA1, SERPINB1, PRSS1 MIF 424/4885EPHX1 468/4885HPGD 1141/4885
US-20050176769-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 MIF 497/4885EPHX1 308/4885HPGD 849/4885
US-20090036409-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 MIF 497/4885EPHX1 308/4885HPGD 849/4885
US-20120022022-A1 NOVEL INHIBITORS OF CHYMASE CMA1, SERPINB1, TPSAB1 MIF 497/4885EPHX1 308/4885HPGD 849/4885
US-20130131401-A1 PROCESS FOR THE PREPARATION OF CHYMASE MODULATORS CMA1, SERPINB1, CPA3 MIF 585/4885EPHX1 749/4885HPGD 962/4885
US-20120309986-A1 PROCESS FOR THE PREPARATION OF CHYMASE MODULATORS CMA1, SERPINB1, CPA3 MIF 585/4885EPHX1 749/4885HPGD 962/4885

“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.