SCHEMBL515765

SCHEMBL515765

COc1cc(N2CCc3cc(C(=O)O)ccc32)ncn1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 15/20 0.45
CYP17A1 P05093 1/20 0.41
CYP2C19 P33261 1/20 0.40
SRD5A1 P18405 2/20 0.40
SRD5A2 P31213 2/20 0.40

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
SCHEMBL299805 0.82 RXRA (0.43) GPR119CYP17A1SRD5A1SRD5A2
SCHEMBL515571 0.78 GPR119 (0.59) GPR119
SCHEMBL759578 0.78 GPR119 (0.76) GPR119
SCHEMBL515619 0.76 GPR119 (0.74) GPR119
SCHEMBL288754 0.76 SRD5A1 (0.52) GPR119SRD5A1SRD5A2
SCHEMBL515774 0.75 GPR119 (0.52) GPR119SRD5A1SRD5A2
Hydrochloric Acid SCHEMBL515112 0.74 GPR119 (0.51) GPR119SRD5A1SRD5A2
SCHEMBL515172 0.74 GPR119 (0.76) GPR119
SCHEMBL288936 0.73 GPR119 (0.57) GPR119
SCHEMBL23675130 0.73 IDO1 (0.46)

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 3 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
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

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 1/4885CYP17A1 642/4885CYP2C19 1128/4885

“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.