SCHEMBL8291195

SCHEMBL8291195

Nc1cc(NC(=O)C2CCN(C(=O)c3ccc4ccccc4c3)CC2)c2ccccc2c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.59
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
CAPN1 P07384 1/20 0.52
CTSB P07858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 1/20 0.48
DRD4 P21917 3/20 0.48
ALDH1A1 P00352 1/20 0.48
KDM4E B2RXH2 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TSHR P16473 2/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ACHE P22303 1/20 0.46
BACE1 P56817 1/20 0.46
AKR1C1 Q04828 1/20 0.46

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
SCHEMBL27668978 0.87 MGLL (0.67) MGLLNPC1RAB9ACAPN1CTSB
SCHEMBL3391972 0.83 MGLL (0.59) MGLLNPC1RAB9ACAPN1CTSB
SCHEMBL10197956 0.82 MGLL (0.56) MGLLNPC1RAB9ACAPN1CTSB
SCHEMBL8291194 0.81 MGLL (0.55) MGLLNPC1RAB9ACAPN1CTSB
SCHEMBL15290587 0.80 MGLL (0.54) MGLLNPC1RAB9ACAPN1CTSB
SCHEMBL27668873 0.80 MGLL (0.79) MGLLNPC1RAB9AALDH1A1CYP2C19
SCHEMBL409062 0.78 CMA1 (0.57) MGLLNPC1RAB9ACAPN1CTSB
SCHEMBL13009698 0.78 NPC1 (0.54) MGLLNPC1RAB9ACAPN1CTSB
SCHEMBL10197837 0.77 NPC1 (0.69) MGLLNPC1RAB9ACAPN1CTSB
SCHEMBL13996273 0.76 CTSG (0.52) MGLLNPC1RAB9ACAPN1CTSB

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 11 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-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-20120022022-A1 NOVEL INHIBITORS OF CHYMASE HAWKINS MICHAEL J (US) 2012-01-26 US disclosed
US-20100048513-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2010-02-25 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-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-7459444-B2 Inhibitors of chymase JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-02 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 (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-20100048513-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 MGLL 1024/4885NPC1 544/4885RAB9A 2192/4885
US-20090036409-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 MGLL 1024/4885NPC1 544/4885RAB9A 2192/4885
US-20120022022-A1 NOVEL INHIBITORS OF CHYMASE CMA1, SERPINB1, TPSAB1 MGLL 1024/4885NPC1 544/4885RAB9A 2192/4885

“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.