SCHEMBL2075004

SCHEMBL2075004

CC(C)(C)OC(=O)N1CCc2nn(-c3ccccc3)c(OS(=O)(=O)C(F)(F)F)c2CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.43
GRM5 P41594 1/20 0.42
GRM1 Q13255 1/20 0.42
C5AR1 P21730 3/20 0.42
PIK3CA P42336 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
LMNA P02545 1/20 0.38
STS P08842 1/20 0.38
HPGDS O60760 1/20 0.38
HTR6 P50406 1/20 0.37
RORC P51449 1/20 0.37
PDK2 Q15119 2/20 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
SCHEMBL21893541 0.93 NTRK1 (0.43) GPR119GRM5GRM1C5AR1PIK3CA
SCHEMBL2075842 0.93 C5AR1 (0.47) GPR119GRM5GRM1C5AR1PIK3CA
SCHEMBL2075984 0.92 MEN1 (0.45) GPR119C5AR1MAPTTP53THRB
SCHEMBL2076298 0.91 HPGDS (0.49) GPR119GRM5GRM1C5AR1PIK3CA
SCHEMBL2075003 0.91 TP53 (0.43) GPR119C5AR1POLBMAPTTP53
SCHEMBL2076536 0.90 POLB (0.40) GPR119C5AR1POLBSTSHPGDS
SCHEMBL2075616 0.88 MEN1 (0.47) C5AR1MAPTTP53THRBLMNA
SCHEMBL4696960 0.88 PDK2 (0.36) THRBLMNAPDK2
SCHEMBL2076437 0.85 STS (0.43) GPR119GRM5GRM1THRBSTS
SCHEMBL18493654 0.84 MAPT (0.47) C5AR1MAPTTP53LMNASTS

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 GPR119 218/4885GRM5 43/4885GRM1 63/4885
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B GPR119 218/4885GRM5 43/4885GRM1 63/4885
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B GPR119 218/4885GRM5 43/4885GRM1 63/4885
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B GPR119 218/4885GRM5 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.