SCHEMBL10197956

SCHEMBL10197956

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.56
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CAPN1 P07384 1/20 0.45
CTSB P07858 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TSHR P16473 2/20 0.44
HSD17B10 Q99714 1/20 0.44
HPGD P15428 1/20 0.44
ACHE P22303 2/20 0.44
BACE1 P56817 2/20 0.44
DRD4 P21917 2/20 0.44
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43

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
SCHEMBL8291194 0.84 MGLL (0.55) MGLLNPC1RAB9AL3MBTL1KMT2A
SCHEMBL15290587 0.83 MGLL (0.54) MGLLNPC1RAB9AL3MBTL1KMT2A
SCHEMBL8291195 0.82 MGLL (0.59) MGLLNPC1RAB9AL3MBTL1KMT2A
SCHEMBL27668978 0.82 MGLL (0.67) MGLLNPC1RAB9AL3MBTL1KMT2A
SCHEMBL27668873 0.80 MGLL (0.79) MGLLNPC1RAB9AALDH1A1CYP2C19
SCHEMBL3391972 0.79 MGLL (0.59) MGLLNPC1RAB9AL3MBTL1KMT2A
SCHEMBL409062 0.78 CMA1 (0.57) MGLLNPC1RAB9AL3MBTL1CAPN1
SCHEMBL13009097 0.78 MGLL (0.50) MGLLNPC1RAB9AL3MBTL1KMT2A
SCHEMBL10317420 0.76 MGLL (0.50) MGLLNPC1RAB9AL3MBTL1KMT2A
SCHEMBL13009387 0.76 MGLL (0.48) MGLLNPC1RAB9AL3MBTL1KMT2A

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 5 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-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

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.