SCHEMBL25837685

SCHEMBL25837685

C[C@H](NC(=O)CO)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.58
GPR139 Q6DWJ6 16/20 0.54
ALDH1A1 P00352 1/20 0.52
PDE2A O00408 1/20 0.51

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
SCHEMBL29178120 0.87 ALDH1A1 (0.54) GPR139ALDH1A1
SCHEMBL29178119 0.87 ALDH1A1 (0.54) GPR139ALDH1A1
SCHEMBL23122643 0.87 GPR139 (0.53) GPR139ALDH1A1
SCHEMBL23122640 0.87 GPR139 (0.53) GPR139ALDH1A1
SCHEMBL30202951 0.83 ACACB (0.63) ACACBPDE2A
SCHEMBL30186632 0.83 ACACB (0.63) ACACBPDE2A
SCHEMBL29151019 0.81 ALDH1A1 (0.65) ACACBGPR139ALDH1A1
SCHEMBL25837687 0.81 PDE2A (0.52) ACACBGPR139ALDH1A1PDE2A
SCHEMBL21988554 0.79 ALDH1A1 (0.47) GPR139ALDH1A1
SCHEMBL29178112 0.79 GPR139 (0.47) GPR139

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-20230227416-A1 SUBSTITUTED BENZOTRIAZINONE METABOLITES OF A GPR139 AGONIST TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-07-20 US disclosed
US-20230227416-A1 SUBSTITUTED BENZOTRIAZINONE METABOLITES OF A GPR139 AGONIST TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-07-20 US disclosed
EP-4146635-A1 SUBSTITUTED BENZOTRIAZINONE METABOLITES OF A GPR139 AGONIST Takeda Pharmaceutical Company Limited (JP) 2023-03-15 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-20230227416-A1 SUBSTITUTED BENZOTRIAZINONE METABOLITES OF A GPR139 AGONIST GPR139, GPR84, GPR3 ACACB 3854/4885GPR139 1/4885ALDH1A1 2827/4885

“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.