SCHEMBL2076740

SCHEMBL2076740

CC(C)(C)OC(=O)N1CCc2nn(Cc3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)c(-c3ccc(Cl)cc3)c2CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 6/20 0.43
CYP2C9 P11712 1/20 0.43
TLR9 Q9NR96 4/20 0.40
TLR7 Q9NYK1 2/20 0.40
SLC16A3 O15427 2/20 0.40
SLC16A1 P53985 2/20 0.40
MCTS1 Q9ULC4 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CACNB4 O00305 2/20 0.39
CACNA1A O00555 2/20 0.39
CACNA1G O43497 2/20 0.39
CACNG3 O60359 2/20 0.39
CACNA1F O60840 2/20 0.39
CACNA1H O95180 2/20 0.39
CACNB3 P54284 2/20 0.39
CACNA2D1 P54289 2/20 0.39
CACNG7 P62955 2/20 0.39
CACNA1B Q00975 2/20 0.39
CACNA1D Q01668 2/20 0.39

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
SCHEMBL4699121 0.89 MEN1 (0.41) PTGER1SLC16A3SLC16A1MCTS1MEN1
SCHEMBL2077305 0.89 SLC16A3 (0.44) SLC16A3SLC16A1MCTS1MEN1KMT2A
SCHEMBL2076034 0.84 OPRD1 (0.45) SLC16A3
SCHEMBL2077121 0.83 PREP (0.42) SLC16A3SLC16A1MCTS1MEN1KMT2A
SCHEMBL2076060 0.83 P2RX7 (0.41) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL2076899 0.83 PREP (0.45) MEN1KMT2ACACNB4CACNA1ACACNA1G
SCHEMBL2074756 0.82 KDM1A (0.44) MEN1KMT2ACACNB4CACNA1ACACNA1G
SCHEMBL2077104 0.82 P2RX3 (0.46) MEN1KMT2ACACNB4CACNA1ACACNA1G
SCHEMBL2077158 0.81 SCD5 (0.46) MEN1KMT2ACACNB4CACNA1ACACNA1G
SCHEMBL2073906 0.80 SLC16A3 (0.48) SLC16A3MEN1KMT2ACACNB4CACNA1A

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 13 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
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 PTGER1 202/4885CYP2C9 462/4885TLR9 2571/4885
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B PTGER1 202/4885CYP2C9 462/4885TLR9 2571/4885
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B PTGER1 202/4885CYP2C9 462/4885TLR9 2571/4885
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B PTGER1 202/4885CYP2C9 462/4885TLR9 2571/4885

“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.