SCHEMBL2075978

SCHEMBL2075978

COc1ccc(Cn2nc(-c3ccc(Cl)cc3)c3c2CCN(C(=O)OC(C)(C)C)CC3)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 6/20 0.53
PTGS2 P35354 3/20 0.46
KDM1A O60341 2/20 0.45
CTSS P25774 5/20 0.45
HTR7 P34969 2/20 0.44
HTR1A P08908 1/20 0.44
HTR2A P28223 1/20 0.44
P2RX3 P56373 1/20 0.41

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 0.94 KCNK3 (0.51) KCNK3KDM1ACTSSHTR7HTR1A
SCHEMBL2076212 0.90 KCNK3 (0.47) KCNK3KDM1ACTSSHTR7HTR1A
SCHEMBL2073889 0.90 HTR7 (0.56) KCNK3CTSSHTR7HTR1AHTR2A
SCHEMBL2075779 0.90 HTR7 (0.51) KCNK3KDM1ACTSSHTR7HTR1A
SCHEMBL2076376 0.88 KCNK3 (0.45) KCNK3PTGS2CTSS
SCHEMBL2075400 0.87 LMNA (0.46) KCNK3KDM1ACTSSHTR7HTR1A
SCHEMBL2075014 0.87 KCNK3 (0.45) KCNK3KDM1ACTSSHTR7HTR1A
SCHEMBL2074365 0.85 CTSS (0.53) KCNK3CTSSHTR7HTR1AHTR2A
SCHEMBL2076732 0.81 ALDH1A1 (0.43) KCNK3KDM1ACTSSHTR7HTR1A
SCHEMBL2076503 0.81 CTSS (0.46) CTSS

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 KCNK3 1612/4885PTGS2 415/4885KDM1A 4159/4885
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B KCNK3 1612/4885PTGS2 415/4885KDM1A 4159/4885
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B KCNK3 1612/4885PTGS2 415/4885KDM1A 4159/4885
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B KCNK3 1612/4885PTGS2 415/4885KDM1A 4159/4885

“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.