SCHEMBL2075864

SCHEMBL2075864

COc1ccccc1Cn1nc2c(c1-c1ccc(Cl)cc1)CCN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 4/20 0.47
CACNB4 O00305 3/20 0.47
CACNA1A O00555 3/20 0.47
CACNA1G O43497 3/20 0.47
CACNG3 O60359 3/20 0.47
CACNA1F O60840 3/20 0.47
CACNA1H O95180 3/20 0.47
CACNB3 P54284 3/20 0.47
CACNA2D1 P54289 3/20 0.47
CACNG7 P62955 3/20 0.47
CACNA1B Q00975 3/20 0.47
CACNA1D Q01668 3/20 0.47
CACNB1 Q02641 3/20 0.47
CACNG1 Q06432 3/20 0.47
CACNB2 Q08289 3/20 0.47
CACNA1S Q13698 3/20 0.47
CACNA1C Q13936 3/20 0.47
CACNA1E Q15878 3/20 0.47
CACNA2D4 Q7Z3S7 3/20 0.47
CACNA2D3 Q8IZS8 3/20 0.47

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
SCHEMBL2075203 0.89 C5AR1 (0.49) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL2077305 0.87 SLC16A3 (0.44) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL2073415 0.87 ACHE (0.46) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL2073996 0.87 NR1H2 (0.52) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL2074756 0.85 KDM1A (0.44) P2RX3CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL2074365 0.85 CTSS (0.53) P2RX3CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL2074833 0.83 KCNK3 (0.46) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL2073906 0.83 SLC16A3 (0.48) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL2076060 0.83 P2RX7 (0.41) P2RX3CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL2073869 0.83 MEN1 (0.46) CACNB4CACNA1ACACNA1GCACNG3CACNA1F

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 P2RX3 296/4885CACNB4 1658/4885CACNA1A 1102/4885
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B P2RX3 296/4885CACNB4 1658/4885CACNA1A 1102/4885
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B P2RX3 296/4885CACNB4 1658/4885CACNA1A 1102/4885
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B P2RX3 296/4885CACNB4 1658/4885CACNA1A 1102/4885

“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.