SCHEMBL2076338

SCHEMBL2076338

CC1CN(C(=O)OC(C)(C)C)CCc2c1nn(C(C)C)c2OS(=O)(=O)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.33
GPR119 Q8TDV5 6/20 0.32
USP30 Q70CQ3 1/20 0.31
HTR6 P50406 2/20 0.31
MMP1 P03956 2/20 0.31
MMP9 P14780 2/20 0.31
CYP8B1 Q9UNU6 1/20 0.31
MMP3 P08254 1/20 0.31
MMP7 P09237 1/20 0.31
BCHE P06276 1/20 0.31
STS P08842 1/20 0.31
MMP13 P45452 2/20 0.30
RORC P51449 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 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
SCHEMBL2075815 0.85 MAPT (0.32) GPR119USP30MMP1MMP9MMP3
SCHEMBL2076409 0.83 ADORA1 (0.35) ADORA1GPR119STSMAPT
SCHEMBL2074792 0.81 C5AR1 (0.39) ADORA1MAPTDDB1CRBN
SCHEMBL2075276 0.78 NR1H2 (0.31) GPR119MEN1KMT2A
SCHEMBL2076531 0.74 C5AR1 (0.33) ADORA1GPR119STSMMP13
SCHEMBL6027740 0.73 CXCR2 (0.32) ADORA1
SCHEMBL4198503 0.73 ESR2 (0.40) GPR119MMP1MMP9MMP3MMP7
SCHEMBL2074189 0.73 ADORA1 (0.34) ADORA1GPR119STSMMP13DDB1
SCHEMBL21818824 0.71 MGLL (0.32)
SCHEMBL21818606 0.71 MGLL (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1905774-B1 Fused heterocyclic compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2013-02-20 EP disclosed
US-7897771-B2 Fused heterocyclic compounds JANSSEN PHARMACEUTICA NV (BE) 2011-03-01 US disclosed
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2011-02-17 US disclosed
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2009-10-29 US disclosed
US-7579470-B2 Fused heterocyclic compounds JANSSEN PHARMACEUTICA NV (BE) 2009-08-25 US disclosed
US-7402680-B2 Fused heterocyclic compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2008-07-22 US disclosed
EP-1944306-A1 Fused heterocyclic compounds as serotonin receptor modulators Janssen Pharmaceutica, N.V. (BE) 2008-07-16 EP disclosed
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2008-05-01 US disclosed
EP-1905774-A1 Fused heterocyclic compounds as serotonin receptor modulators Janssen Pharmaceutica, N.V. (BE) 2008-04-02 EP disclosed
EP-1668014-A2 FUSED HETEROCYCLIC COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-14 EP disclosed
US-20050119295-A1 Fused heterocyclic compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 US disclosed
WO-2005040169-A2 FUSED HETEROCYCLIC COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-06 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 (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-20050119295-A1 Fused heterocyclic compounds TPH1, HTR3A, HTR3B ADORA1 862/4885GPR119 218/4885USP30 3998/4885
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B ADORA1 862/4885GPR119 218/4885USP30 3998/4885
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B ADORA1 862/4885GPR119 218/4885USP30 3998/4885
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B ADORA1 862/4885GPR119 218/4885USP30 3998/4885

“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.