SCHEMBL2076487

SCHEMBL2076487

CC(C)(C)OC(=O)N1CCc2c(-c3ccc(Cl)cc3)nn(C3CCC3)c2CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KCNK3 O14649 3/20 0.45
NR3C1 P04150 2/20 0.43
STS P08842 2/20 0.42
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
ALOX5 P09917 1/20 0.42
CACNB4 O00305 2/20 0.42
CACNA1A O00555 2/20 0.42
CACNA1G O43497 2/20 0.42
CACNG3 O60359 2/20 0.42
CACNA1F O60840 2/20 0.42
CACNA1H O95180 2/20 0.42
CACNB3 P54284 2/20 0.42
CACNA2D1 P54289 2/20 0.42
CACNG7 P62955 2/20 0.42
CACNA1B Q00975 2/20 0.42
CACNA1D Q01668 2/20 0.42

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
SCHEMBL2073845 0.82 CNR1 (0.46) MEN1KMT2ANR3C1STSCNR1
SCHEMBL2077035 0.80 KCNK3 (0.51) CTSSMEN1KMT2AKCNK3NPSR1
SCHEMBL2073916 0.80 CNR1 (0.46) MEN1KMT2ANR3C1STSCNR1
SCHEMBL2073861 0.80 CNR1 (0.46) MEN1KMT2ANR3C1STSCNR1
SCHEMBL2073807 0.79 PTGS2 (0.57) MEN1KMT2ACACNB4CACNA1ACACNA1G
SCHEMBL2073889 0.78 HTR7 (0.56) CTSSKCNK3
SCHEMBL2076503 0.77 CTSS (0.46) CTSSMEN1KMT2ASTSCNR1
SCHEMBL2076212 0.76 KCNK3 (0.47) CTSSMEN1KMT2AKCNK3NPSR1
SCHEMBL2075413 0.76 CTSS (0.47) CTSSMEN1KMT2AKCNK3STS
SCHEMBL2075779 0.76 HTR7 (0.51) CTSSKCNK3NPSR1

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 2576/4885MEN1 1063/4885KMT2A 3501/4885
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B CTSS 2576/4885MEN1 1063/4885KMT2A 3501/4885
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B CTSS 2576/4885MEN1 1063/4885KMT2A 3501/4885
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B CTSS 2576/4885MEN1 1063/4885KMT2A 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.