SCHEMBL2076732

SCHEMBL2076732

CCOC(=O)c1ccc(Cn2nc(-c3ccc(Cl)cc3)c3c2CCN(C(=O)OC(C)(C)C)CC3)o1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
GAA P10253 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CTSS P25774 5/20 0.41
KCNK3 O14649 2/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.39
TRPM2 O94759 1/20 0.39
KDM1A O60341 1/20 0.38
ADORA1 P30542 1/20 0.38
HTR7 P34969 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR1A P08908 1/20 0.37
HTR2A P28223 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
SCHEMBL2077035 0.86 KCNK3 (0.51) KMT2AMEN1SMN1; SMN2NPSR1CTSS
SCHEMBL2075968 0.82 HTR7 (0.57) ALDH1A1GAAKMT2AMAPTTSHR
SCHEMBL2076212 0.82 KCNK3 (0.47) KMT2AMEN1SMN1; SMN2NPSR1CTSS
SCHEMBL2073889 0.82 HTR7 (0.56) CTSSKCNK3HTR7HTR1AHTR2A
SCHEMBL2075779 0.82 HTR7 (0.51) LMNANPSR1CTSSKCNK3MAPT
SCHEMBL2075978 0.81 KCNK3 (0.53) CTSSKCNK3KDM1AHTR7HTR1A
SCHEMBL2075014 0.79 KCNK3 (0.45) SMN1; SMN2NPSR1CTSSKCNK3KDM1A
SCHEMBL2075400 0.79 LMNA (0.46) ALDH1A1LMNACTSSKCNK3MAPT
SCHEMBL2076503 0.76 CTSS (0.46) KMT2AMEN1SMN1; SMN2NPSR1CTSS
SCHEMBL2074365 0.76 CTSS (0.53) ALDH1A1LMNACTSSKCNK3HTR7

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 13 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
EP-1668014-B1 FUSED HETEROCYCLIC COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2009-01-14 EP 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 ALDH1A1 2953/4885GAA 3127/4885KMT2A 3501/4885
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B ALDH1A1 2953/4885GAA 3127/4885KMT2A 3501/4885
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B ALDH1A1 2953/4885GAA 3127/4885KMT2A 3501/4885
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B ALDH1A1 2953/4885GAA 3127/4885KMT2A 3501/4885

“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.