SCHEMBL21057288

SCHEMBL21057288

O=C(O)C1CC(O)CC(C(F)(F)F)C1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OAT P04181 1/20 0.33
GRM1 Q13255 1/20 0.30
CYP2C19 P33261 1/20 0.30
GABRR1 P24046 1/20 0.30

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
SCHEMBL21057539 1.00 OAT (0.33) OATGRM1CYP2C19GABRR1
SCHEMBL21057290 1.00 OAT (0.33) OATGRM1CYP2C19GABRR1
SCHEMBL23358905 0.89 OAT (0.38) OATGRM1CYP2C19GABRR1
SCHEMBL4264726 0.89 OAT (0.38) OATGRM1CYP2C19GABRR1
SCHEMBL23358995 0.89 OAT (0.38) OATGRM1CYP2C19GABRR1
SCHEMBL849491 0.87 OAT (0.41) OATGRM1CYP2C19GABRR1
SCHEMBL871716 0.79
SCHEMBL18669708 0.79
SCHEMBL18669534 0.79
SCHEMBL913504 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP disclosed
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 US 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-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND PDE7B, PDE3A, PDE7A OAT 3261/4885GRM1 4224/4885CYP2C19 479/4885

“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.