SCHEMBL515793

SCHEMBL515793

CS(=O)(=O)c1ccc2c(c1)CCN2c1cc(NC2CCN(C(=O)O)CC2)ncn1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 19/20 0.78
ROCK1 Q13464 1/20 0.48

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
SCHEMBL1065989 0.88 GPR119 (0.79) GPR119
SCHEMBL514317 0.88 GPR119 (1.00) GPR119
SCHEMBL1066531 0.86 GPR119 (0.68) GPR119ROCK1
SCHEMBL8512802 0.84 GPR119 (0.57) GPR119ROCK1
SCHEMBL1064995 0.84 GPR119 (0.64) GPR119ROCK1
SCHEMBL299959 0.83 GPR119 (0.80) GPR119
SCHEMBL2717368 0.78 GPR119 (0.72) GPR119ROCK1
SCHEMBL515122 0.78 GPR119 (0.61) GPR119ROCK1
SCHEMBL288283 0.77 GPR119 (0.64) GPR119ROCK1
SCHEMBL17091631 0.77 GPR119 (0.64) GPR119ROCK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410089-B2 Fused heterocyclic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-02 US disclosed
EP-2445901-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO Boehringer Ingelheim International GmbH (DE) 2012-05-02 EP disclosed
US-20120028962-A1 FUSED HETEROCYCLIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-02 US disclosed
EP-2399914-A1 FUSED HETEROCYCLIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-12-28 EP disclosed
WO-2010149685-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-29 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 (1 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-20120028962-A1 FUSED HETEROCYCLIC RING COMPOUND GPR119, GPR4, GPR84 GPR119 1/4885ROCK1 2566/4885

“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.