SCHEMBL2076298

SCHEMBL2076298

CC(C)(C)OC(=O)N1CCc2nn(-c3cccc(F)c3)c(OS(=O)(=O)C(F)(F)F)c2CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.49
GRM5 P41594 1/20 0.45
GRM1 Q13255 1/20 0.45
TP53 P04637 3/20 0.44
C5AR1 P21730 2/20 0.40
GPR119 Q8TDV5 1/20 0.40
LMNA P02545 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
PIK3CA P42336 1/20 0.39
TGM2 P21980 1/20 0.39
RORC P51449 1/20 0.37

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
SCHEMBL2075003 0.91 TP53 (0.43) HPGDSTP53C5AR1GPR119LMNA
SCHEMBL2075004 0.91 GPR119 (0.43) HPGDSGRM5GRM1TP53C5AR1
SCHEMBL2076536 0.90 POLB (0.40) HPGDSC5AR1GPR119RORC
SCHEMBL2075984 0.85 MEN1 (0.45) TP53C5AR1GPR119LMNAMKNK1
SCHEMBL2075842 0.84 C5AR1 (0.47) HPGDSGRM5GRM1C5AR1GPR119
SCHEMBL21893541 0.84 NTRK1 (0.43) HPGDSGRM5GRM1C5AR1GPR119
SCHEMBL2075616 0.81 MEN1 (0.47) TP53C5AR1LMNARORC
SCHEMBL4696960 0.79 PDK2 (0.36) LMNA
SCHEMBL2076409 0.78 ADORA1 (0.35) C5AR1GPR119TGM2
SCHEMBL2076437 0.78 STS (0.43) GRM5GRM1GPR119

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 HPGDS 156/4885GRM5 43/4885GRM1 63/4885
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B HPGDS 156/4885GRM5 43/4885GRM1 63/4885
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B HPGDS 156/4885GRM5 43/4885GRM1 63/4885
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B HPGDS 156/4885GRM5 43/4885GRM1 63/4885

“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.