SCHEMBL875284

SCHEMBL875284

COC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 2/20 0.48
S1PR1 P21453 1/20 0.48
DRD2 P14416 7/20 0.47
DRD4 P21917 7/20 0.47
DRD3 P35462 7/20 0.47
UBE2M P61081 1/20 0.46
DCUN1D1 Q96GG9 1/20 0.46
FUCA1 P04066 2/20 0.46
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL882579 1.00 S1PR5 (0.48) S1PR5S1PR1DRD2DRD4DRD3
SCHEMBL875727 1.00 S1PR5 (0.48) S1PR5S1PR1DRD2DRD4DRD3
SCHEMBL874431 1.00 S1PR5 (0.48) S1PR5S1PR1DRD2DRD4DRD3
SCHEMBL6232439 0.91 S1PR5 (0.53) S1PR5S1PR1FUCA1SIGMAR1
SCHEMBL585357 0.91 S1PR5 (0.53) S1PR5S1PR1FUCA1SIGMAR1
SCHEMBL585358 0.91 S1PR5 (0.53) S1PR5S1PR1FUCA1SIGMAR1
SCHEMBL6232433 0.91 S1PR5 (0.53) S1PR5S1PR1FUCA1SIGMAR1
SCHEMBL1282973 0.88 S1PR5 (0.53) S1PR5DRD2DRD4DRD3SIGMAR1
SCHEMBL19064205 0.87 S1PR5 (0.52) S1PR5S1PR1FUCA1SIGMAR1
SCHEMBL9112639 0.87 S1PR5 (0.52) S1PR5S1PR1FUCA1SIGMAR1

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9969742-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2018-05-15 US disclosed
US-9969742-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2018-05-15 US disclosed
US-9969742-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2018-05-15 US disclosed
US-20170327502-A1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS INC (US) 2017-11-16 US disclosed
US-20170327502-A1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS INC (US) 2017-11-16 US disclosed
US-20170327502-A1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS INC (US) 2017-11-16 US disclosed
US-9725453-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2017-08-08 US disclosed
US-9725453-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2017-08-08 US disclosed
US-9725453-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2017-08-08 US disclosed
EP-3181566-A1 IMIDAZOTRIAZINONE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2017-06-21 EP disclosed
WO-2012040230-A1 IMIDAZOTRIAZINONE COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2012-03-29 WO disclosed
EP-2152712-B1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER (US) 2012-01-11 EP disclosed
US-7964607-B2 Pyrazolo[3,4-d]pyrimidine compounds PFIZER INC. (US) 2011-06-21 US disclosed
US-7964607-B2 Pyrazolo[3,4-d]pyrimidine compounds PFIZER INC. (US) 2011-06-21 US disclosed
US-7964607-B2 Pyrazolo[3,4-d]pyrimidine compounds PFIZER INC. (US) 2011-06-21 US disclosed
EP-2152712-A1 AMINO-HETEROCYCLIC COMPOUNDS Pfizer Inc. (US) 2010-02-17 EP disclosed
US-20090030003-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC 2009-01-29 US disclosed
US-20090030003-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC 2009-01-29 US disclosed
US-20090030003-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC 2009-01-29 US disclosed
WO-2008139293-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2008-11-20 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 (2 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-20170327502-A1 IMIDAZOTRIAZINONE COMPOUNDS PDE9A, PDE12, PDE4A S1PR5 1335/4885S1PR1 1663/4885DRD2 3800/4885
US-20090030003-A1 AMINO-HETEROCYCLIC COMPOUNDS PDE9A, PDE2A, PDE10A S1PR5 3767/4885S1PR1 3298/4885DRD2 181/4885

“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.