SCHEMBL2073845

SCHEMBL2073845

CC(C)(C)OC(=O)N1CCc2nn(C3CCC3)c(-c3ccc(Cl)cc3)c2CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NR3C1 P04150 2/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
STS P08842 2/20 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
SCHEMBL2073861 0.97 CNR1 (0.46) CNR1CNR2MEN1KMT2ANR3C1
SCHEMBL2073916 0.97 CNR1 (0.46) CNR1CNR2MEN1KMT2ANR3C1
SCHEMBL2073606 0.92 CNR1 (0.45) CNR1CNR2MEN1KMT2ANR3C1
SCHEMBL2074550 0.87 HTR2A (0.50) CNR1HTR2AHTR2CHTR2BC5AR1
SCHEMBL4427755 0.84 HTR2A (0.50) CNR1HTR2AHTR2CHTR2B
SCHEMBL2076606 0.83 MEN1 (0.47) CNR1CNR2MEN1KMT2ASTS
SCHEMBL2076487 0.82 CTSS (0.45) CNR1CNR2MEN1KMT2ANR3C1
SCHEMBL2075799 0.82 CNR1 (0.45) CNR1CNR2MEN1KMT2ANR3C1
SCHEMBL2076344 0.82 CNR1 (0.44) CNR1CNR2MEN1KMT2ASTS
SCHEMBL2073869 0.82 MEN1 (0.46) CNR1CNR2MEN1KMT2AHTR2A

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
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
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 CNR1 130/4885CNR2 93/4885MEN1 1063/4885
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B CNR1 130/4885CNR2 93/4885MEN1 1063/4885
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B CNR1 130/4885CNR2 93/4885MEN1 1063/4885
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B CNR1 130/4885CNR2 93/4885MEN1 1063/4885

“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.