SCHEMBL2076437

SCHEMBL2076437

CC(C)(C)OC(=O)N1CCc2nn(Cc3ccccc3)c(OS(=O)(=O)C(F)(F)F)c2CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.43
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
GPR119 Q8TDV5 3/20 0.39
P2RX3 P56373 1/20 0.39
ACHE P22303 1/20 0.38
HTR6 P50406 2/20 0.38
BCHE P06276 1/20 0.38
TACR1 P25103 1/20 0.37
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GRM5 P41594 1/20 0.37
GRM1 Q13255 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
SCD O00767 1/20 0.37
SCD5 Q86SK9 1/20 0.37
P2RX7 Q99572 1/20 0.36

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
SCHEMBL2075868 0.86 ADORA1 (0.36) STSGPR119SMN1; SMN2
SCHEMBL2073892 0.85 ADORA1 (0.35) STSGPR119SMN1; SMN2
SCHEMBL2075004 0.85 GPR119 (0.43) STSGPR119HTR6THRBGRM5
SCHEMBL2075466 0.84 STS (0.42) STSOPRD1OPRK1GPR119P2RX3
SCHEMBL2075616 0.83 MEN1 (0.47) STSTHRB
SCHEMBL2073728 0.81 ADORA1 (0.36) STSGPR119SMN1; SMN2GRM5GRM1
SCHEMBL2074413 0.81 GPR119 (0.38) STSGPR119
SCHEMBL2075984 0.80 MEN1 (0.45) STSGPR119GAATHRBSMN1; SMN2
SCHEMBL2076034 0.80 OPRD1 (0.45) STSOPRD1OPRK1GPR119P2RX3
SCHEMBL2075003 0.80 TP53 (0.43) STSGPR119

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 10 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
US-20050119295-A1 Fused heterocyclic compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 US 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 STS 1974/4885OPRD1 136/4885OPRK1 59/4885
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B STS 1974/4885OPRD1 136/4885OPRK1 59/4885
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B STS 1974/4885OPRD1 136/4885OPRK1 59/4885
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B STS 1974/4885OPRD1 136/4885OPRK1 59/4885

“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.