SCHEMBL10197837

SCHEMBL10197837

CNC(=O)C1CCN(C(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.69
RAB9A P51151 1/20 0.69
ALDH1A1 P00352 2/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
MGLL Q99685 1/20 0.65
TSHR P16473 2/20 0.60
HPGD P15428 1/20 0.60
DRD4 P21917 3/20 0.58
CAPN1 P07384 1/20 0.58
CTSB P07858 1/20 0.58
AKR1C1 Q04828 1/20 0.56
LMNA P02545 2/20 0.54
L3MBTL3 Q96JM7 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
USP2 O75604 1/20 0.51

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
SCHEMBL27668873 0.85 MGLL (0.79) NPC1RAB9AALDH1A1MGLL
SCHEMBL408393 0.84 NPC1 (0.72) NPC1RAB9AALDH1A1MGLLTSHR
SCHEMBL7302754 0.83 NPC1 (0.72) NPC1RAB9AMGLLTSHRHPGD
SCHEMBL9309916 0.83 ALDH1A1 (0.84) ALDH1A1SMN1; SMN2MGLLLMNAPOLB
SCHEMBL27668978 0.81 MGLL (0.67) NPC1RAB9AALDH1A1MGLLTSHR
SCHEMBL3391599 0.80 MGLL (0.62) NPC1RAB9AMGLLTSHRHPGD
SCHEMBL4310722 0.80 TSHR (0.84) NPC1RAB9AALDH1A1TSHRHPGD
SCHEMBL14817987 0.79 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2MGLLHPGDLMNA
SCHEMBL10282916 0.79 NPC1 (0.74) NPC1RAB9AALDH1A1MGLLTSHR
SCHEMBL13826112 0.79 NPC1 (0.69) NPC1RAB9AALDH1A1MGLLTSHR

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-8546358-B2 Method of treating asthma JANSSEN PHARMACEUTICA NV (BE) 2013-10-01 US disclosed
US-20120022022-A1 NOVEL INHIBITORS OF CHYMASE HAWKINS MICHAEL J (US) 2012-01-26 US disclosed
US-7872044-B2 (thio)amide benzofuran compounds containing phosphonic, phosphinic, sulfonic, sulfamic, or carboxy acid groups; for example [benzofuran-3-yl-(naphthalen-2-ylcarbamoyl)-methyl]-phosphonic acid; treating inflammatory or serine protease mediated disorders such as allergic rhinitis, asthma and heart failure JANSSEN PHARMACEUTICA NV (BE) 2011-01-18 US disclosed
US-20100048513-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2010-02-25 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20100048513-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 NPC1 544/4885RAB9A 2192/4885ALDH1A1 1606/4885
US-20080096844-A1 Novel inhibitors of chymase CMA1, SERPINB1, PRSS1 NPC1 407/4885RAB9A 1071/4885ALDH1A1 1619/4885
US-20090036409-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 NPC1 544/4885RAB9A 2192/4885ALDH1A1 1606/4885
US-20120022022-A1 NOVEL INHIBITORS OF CHYMASE CMA1, SERPINB1, TPSAB1 NPC1 544/4885RAB9A 2192/4885ALDH1A1 1606/4885

“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.