SCHEMBL2077035

SCHEMBL2077035

CC(C)(C)OC(=O)N1CCc2c(-c3ccc(Cl)cc3)nn(Cc3ccc(Cl)cc3)c2CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 8/20 0.51
HTR7 P34969 2/20 0.48
HTR1A P08908 1/20 0.48
HTR2A P28223 1/20 0.48
CTSS P25774 6/20 0.48
KDM1A O60341 1/20 0.46
VEGFA P15692 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL2076212 0.95 KCNK3 (0.47) KCNK3HTR7HTR1AHTR2ACTSS
SCHEMBL2073889 0.95 HTR7 (0.56) KCNK3HTR7HTR1AHTR2ACTSS
SCHEMBL2075779 0.95 HTR7 (0.51) KCNK3HTR7HTR1AHTR2ACTSS
SCHEMBL2075978 0.94 KCNK3 (0.53) KCNK3HTR7HTR1AHTR2ACTSS
SCHEMBL2075014 0.92 KCNK3 (0.45) KCNK3HTR7HTR1AHTR2ACTSS
SCHEMBL2075400 0.92 LMNA (0.46) KCNK3HTR7HTR1AHTR2ACTSS
SCHEMBL2076732 0.86 ALDH1A1 (0.43) KCNK3HTR7HTR1AHTR2ACTSS
SCHEMBL2076503 0.86 CTSS (0.46) CTSSMEN1KMT2AHTTSMN1; SMN2
SCHEMBL2073848 0.86 KCNK3 (0.48) KCNK3HTR7HTR1AHTR2AMEN1
SCHEMBL2074365 0.86 CTSS (0.53) KCNK3HTR7HTR1AHTR2ACTSS

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 1612/4885HTR7 17/4885HTR1A 8/4885
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B KCNK3 1612/4885HTR7 17/4885HTR1A 8/4885
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B KCNK3 1612/4885HTR7 17/4885HTR1A 8/4885
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B KCNK3 1612/4885HTR7 17/4885HTR1A 8/4885

“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.