SCHEMBL2076735

SCHEMBL2076735

CC(C)(C)OC(=O)N1CCc2c(-c3ccccc3)nn(Cc3ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc3)c2CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 9/20 0.45
CREBBP Q92793 1/20 0.41
CTSS P25774 2/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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 0.87 HTR7 (0.51) KCNK3CREBBPCTSSCKS1BSKP1
SCHEMBL2075020 0.86 KCNK3 (0.44) KCNK3CREBBPCTSSCKS1BSKP1
SCHEMBL2073848 0.86 KCNK3 (0.48) KCNK3CREBBPCKS1BSKP1SKP2
SCHEMBL2073889 0.83 HTR7 (0.56) KCNK3CTSS
SCHEMBL2077035 0.82 KCNK3 (0.51) KCNK3CTSSMEN1KMT2A
SCHEMBL2074354 0.81 KCNK3 (0.60) KCNK3CTSS
SCHEMBL2075223 0.80 KCNK3 (0.53) KCNK3CTSS
SCHEMBL17328117 0.80 KCNK3 (0.56) KCNK3
SCHEMBL2075978 0.79 KCNK3 (0.53) KCNK3CTSS
SCHEMBL12775859 0.78 HTR7 (0.62) KCNK3CTSSMEN1KMT2A

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 1612/4885CREBBP 1148/4885CTSS 2576/4885
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B KCNK3 1612/4885CREBBP 1148/4885CTSS 2576/4885
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B KCNK3 1612/4885CREBBP 1148/4885CTSS 2576/4885
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B KCNK3 1612/4885CREBBP 1148/4885CTSS 2576/4885

“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.