SCHEMBL5020141

SCHEMBL5020141

CC(C)(NS(=O)(=O)N1CCN(c2ccc(Cl)cn2)CC1)c1cnn[nH]1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.41
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ME2 P23368 1/20 0.39
ME1 P48163 1/20 0.39
ME3 Q16798 1/20 0.39
DRD2 P14416 4/20 0.38
PANK3 Q9H999 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
CNR2 P34972 1/20 0.37
DRD4 P21917 3/20 0.37
RAB9A P51151 1/20 0.37
TRPV1 Q8NER1 2/20 0.37
RET P07949 1/20 0.35
OGA O60502 1/20 0.35

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
SCHEMBL5020140 0.88 GRIN2D (0.36) GPR119KMT2AL3MBTL1ME2ME1
SCHEMBL5020139 0.86 HSD11B1 (0.45) KMT2AL3MBTL1DRD2DRD4
SCHEMBL4756229 0.85 PANK3 (0.44) GPR119PANK3PPARGCNR2RET
SCHEMBL20997913 0.82 GAA (0.33) GPR119KMT2AME2ME1ME3
SCHEMBL4789296 0.80 GPR119 (0.43) GPR119KMT2AL3MBTL1DRD2PANK3
SCHEMBL4789741 0.77 DRD2 (0.43) GPR119KMT2AL3MBTL1DRD2PANK3
SCHEMBL5020187 0.76 FPR2 (0.49)
SCHEMBL2155271 0.71 GPR119 (0.59) GPR119KMT2AL3MBTL1PANK3CNR2
SCHEMBL4754484 0.71 GPR119 (0.54) GPR119KMT2AL3MBTL1DRD2PANK3
SCHEMBL5020189 0.69 FPR2 (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3483147-A1 METALLOENZYME INHIBITOR COMPOUNDS Innocrin Pharmaceuticals, Inc. (US) 2019-05-15 EP disclosed
US-20180221364-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2018-08-09 US disclosed
US-20170143694-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2017-05-25 US disclosed
US-20140121248-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-05-01 US disclosed
US-8623892-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-01-07 US disclosed
US-20130184309-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2013-07-18 US disclosed
US-8389543-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2013-03-05 US disclosed
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
WO-2012064943-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-18 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 (5 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-20140121248-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO GPR119 1547/4885KMT2A 1886/4885L3MBTL1 1568/4885
US-20180221364-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO GPR119 1547/4885KMT2A 1886/4885L3MBTL1 1568/4885
US-20130184309-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO GPR119 1547/4885KMT2A 1886/4885L3MBTL1 1568/4885
US-20170143694-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO GPR119 1547/4885KMT2A 1886/4885L3MBTL1 1568/4885
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO GPR119 1547/4885KMT2A 1886/4885L3MBTL1 1568/4885

“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.