SCHEMBL514777

SCHEMBL514777

CC(C)OC(=O)N1CCC(n2ccc3c(Cl)ncnc32)CC1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 17/20 0.43
▸ CYP2C9 P11712 2/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ PIP4K2A P48426 1/20 0.39
▸ ACACB O00763 1/20 0.39

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
SCHEMBL515111 0.85 GPR119 (0.57) GPR119CYP2C9
SCHEMBL1940586 0.83 SLC22A12 (0.41) GPR119PIP4K2AACACB
SCHEMBL304441 0.80 NR3C1 (0.50) GPR119CYP2C9KCNH2
SCHEMBL12649155 0.80 PIP4K2A (0.49) GPR119CYP2C9KCNH2PIP4K2A
SCHEMBL514941 0.80 GPR119 (0.40) GPR119CYP2C9KCNH2
SCHEMBL1442019 0.79 SLC22A12 (0.40) GPR119PIP4K2A
SCHEMBL12596359 0.79 GPR119 (0.65) GPR119
SCHEMBL515118 0.79 SRC (0.54) GPR119
SCHEMBL9950465 0.79 SRC (0.54) GPR119
SCHEMBL355610 0.79 GPR119 (0.42) GPR119CYP2C9KCNH2

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 1/4885CYP2C9 1210/4885KCNH2 850/4885

“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.

Send feedback