SCHEMBL2074365

SCHEMBL2074365

COc1ccccc1Cn1nc(-c2ccc(Cl)cc2)c2c1CCN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.53
P2RX3 P56373 2/20 0.47
KCNK3 O14649 6/20 0.47
CACNB4 O00305 3/20 0.46
CACNA1A O00555 3/20 0.46
CACNA1G O43497 3/20 0.46
CACNG3 O60359 3/20 0.46
CACNA1F O60840 3/20 0.46
CACNA1H O95180 3/20 0.46
CACNB3 P54284 3/20 0.46
CACNA2D1 P54289 3/20 0.46
CACNG7 P62955 3/20 0.46
CACNA1B Q00975 3/20 0.46
CACNA1D Q01668 3/20 0.46
CACNB1 Q02641 3/20 0.46
CACNG1 Q06432 3/20 0.46
CACNB2 Q08289 3/20 0.46
CACNA1S Q13698 3/20 0.46
CACNA1C Q13936 3/20 0.46
CACNA1E Q15878 3/20 0.46

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
SCHEMBL2073889 0.87 HTR7 (0.56) CTSSKCNK3HTR1AHTR2AHTR7
SCHEMBL2077035 0.86 KCNK3 (0.51) CTSSKCNK3HTR1AHTR2AHTR7
SCHEMBL2075779 0.86 HTR7 (0.51) CTSSKCNK3LMNAHTR1AHTR2A
SCHEMBL2075611 0.85 CACNB4 (0.43) CTSSKCNK3CACNB4CACNA1ACACNA1G
SCHEMBL2075864 0.85 P2RX3 (0.47) CTSSP2RX3CACNB4CACNA1ACACNA1G
SCHEMBL2075978 0.85 KCNK3 (0.53) CTSSP2RX3KCNK3HTR1AHTR2A
SCHEMBL2076376 0.84 KCNK3 (0.45) CTSSKCNK3CACNB4CACNA1ACACNA1G
SCHEMBL2076212 0.82 KCNK3 (0.47) CTSSKCNK3HTR1AHTR2AHTR7
SCHEMBL2076503 0.79 CTSS (0.46) CTSSCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL2075400 0.79 LMNA (0.46) CTSSKCNK3LMNAALDH1A1HTR1A

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
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 CTSS 2576/4885P2RX3 296/4885KCNK3 1612/4885
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B CTSS 2576/4885P2RX3 296/4885KCNK3 1612/4885
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B CTSS 2576/4885P2RX3 296/4885KCNK3 1612/4885
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B CTSS 2576/4885P2RX3 296/4885KCNK3 1612/4885

“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.