SCHEMBL2076536

SCHEMBL2076536

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
C5AR1 P21730 2/20 0.40
HPGDS O60760 2/20 0.39
GPR119 Q8TDV5 3/20 0.39
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.37
STS P08842 1/20 0.37
SCN9A Q15858 2/20 0.37
NPY5R Q15761 1/20 0.37
RORC P51449 1/20 0.37
TGFBR1 P36897 1/20 0.37
SCN5A Q14524 1/20 0.37

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
SCHEMBL2075003 0.90 TP53 (0.43) POLBC5AR1HPGDSGPR119STS
SCHEMBL2076298 0.90 HPGDS (0.49) C5AR1HPGDSGPR119RORC
SCHEMBL2075004 0.90 GPR119 (0.43) POLBC5AR1HPGDSGPR119STS
SCHEMBL2075984 0.84 MEN1 (0.45) C5AR1GPR119KMT2AALDH1A1STS
SCHEMBL21893541 0.84 NTRK1 (0.43) POLBC5AR1HPGDSGPR119
SCHEMBL2075842 0.84 C5AR1 (0.47) POLBC5AR1HPGDSGPR119
SCHEMBL2073860 0.83 C5AR1 (0.47) POLBC5AR1HPGDSGPR119KMT2A
SCHEMBL2075616 0.81 MEN1 (0.47) C5AR1KMT2ASTSRORC
SCHEMBL4696960 0.78 PDK2 (0.36) ALDH1A1
SCHEMBL2076409 0.78 ADORA1 (0.35) C5AR1GPR119STS

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 POLB 4234/4885C5AR1 2550/4885HPGDS 156/4885
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B POLB 4234/4885C5AR1 2550/4885HPGDS 156/4885
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B POLB 4234/4885C5AR1 2550/4885HPGDS 156/4885
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B POLB 4234/4885C5AR1 2550/4885HPGDS 156/4885

“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.