SCHEMBL2073889

SCHEMBL2073889

CC(C)(C)OC(=O)N1CCc2c(-c3ccc(Cl)cc3)nn(Cc3ccccc3)c2CC1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.56
HTR1A P08908 1/20 0.56
HTR2A P28223 1/20 0.56
KCNK3 O14649 8/20 0.53
CTSS P25774 5/20 0.48
KCNK9 Q9NPC2 1/20 0.44

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
SCHEMBL2075779 0.96 HTR7 (0.51) HTR7HTR1AHTR2AKCNK3CTSS
SCHEMBL2077035 0.95 KCNK3 (0.51) HTR7HTR1AHTR2AKCNK3CTSS
SCHEMBL2076212 0.91 KCNK3 (0.47) HTR7HTR1AHTR2AKCNK3CTSS
SCHEMBL2075978 0.90 KCNK3 (0.53) HTR7HTR1AHTR2AKCNK3CTSS
SCHEMBL2074354 0.90 KCNK3 (0.60) HTR7HTR1AHTR2AKCNK3CTSS
SCHEMBL2075223 0.89 KCNK3 (0.53) HTR7HTR1AHTR2AKCNK3CTSS
SCHEMBL2073848 0.88 KCNK3 (0.48) HTR7HTR1AHTR2AKCNK3
SCHEMBL2075014 0.87 KCNK3 (0.45) HTR7HTR1AHTR2AKCNK3CTSS
SCHEMBL2074365 0.87 CTSS (0.53) HTR7HTR1AHTR2AKCNK3CTSS
SCHEMBL2075400 0.87 LMNA (0.46) HTR7HTR1AHTR2AKCNK3CTSS

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 14 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
WO-2009058810-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 2,4,5,6,7,8-HEXAHYDRO-1,2,6-TRIAZA-AZULENE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-07 WO 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 HTR7 17/4885HTR1A 8/4885HTR2A 9/4885
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B HTR7 17/4885HTR1A 8/4885HTR2A 9/4885
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B HTR7 17/4885HTR1A 8/4885HTR2A 9/4885
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B HTR7 17/4885HTR1A 8/4885HTR2A 9/4885

“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.