SCHEMBL2075003

SCHEMBL2075003

CC(C)(C)OC(=O)N1CCc2nn(-c3cccc(Cl)c3)c(OS(=O)(=O)C(F)(F)F)c2CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.43
MAPT P10636 3/20 0.43
POLB P06746 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
STS P08842 1/20 0.42
C5AR1 P21730 2/20 0.40
HPGDS O60760 2/20 0.40
GPR119 Q8TDV5 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
RORC P51449 1/20 0.39
LMNA P02545 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
SCHEMBL2076298 0.91 HPGDS (0.49) TP53C5AR1HPGDSGPR119MKNK1
SCHEMBL2075004 0.91 GPR119 (0.43) TP53MAPTPOLBSTSC5AR1
SCHEMBL2076536 0.90 POLB (0.40) POLBSTSC5AR1HPGDSGPR119
SCHEMBL2075984 0.90 MEN1 (0.45) TP53MAPTSTSC5AR1GPR119
SCHEMBL2075616 0.85 MEN1 (0.47) TP53MAPTSTSC5AR1RORC
SCHEMBL2075842 0.84 C5AR1 (0.47) MAPTPOLBC5AR1HPGDSGPR119
SCHEMBL21893541 0.84 NTRK1 (0.43) MAPTPOLBC5AR1HPGDSGPR119
SCHEMBL2076517 0.81 TP53 (0.49) TP53MAPTPOLBRXFP1C5AR1
SCHEMBL2076437 0.80 STS (0.43) STSGPR119
SCHEMBL4696960 0.79 PDK2 (0.36) LMNA

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 TP53 2377/4885MAPT 823/4885POLB 4234/4885
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B TP53 2377/4885MAPT 823/4885POLB 4234/4885
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B TP53 2377/4885MAPT 823/4885POLB 4234/4885
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B TP53 2377/4885MAPT 823/4885POLB 4234/4885

“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.