SCHEMBL20971867

SCHEMBL20971867

CC(C)(C)OC(=O)N1CCC(=Cc2c(F)cc(C#N)cc2F)CC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 15/20 0.48
▸ GRM5 P41594 2/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ F13A1 P00488 1/20 0.39
▸ TGM2 P21980 1/20 0.39
▸ TGM1 P22735 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
SCHEMBL22462942 0.83 STS (0.48) GPR119GRM5F13A1TGM2TGM1
SCHEMBL23119314 0.82 GRM5 (0.50) GPR119GRM5F13A1TGM2TGM1
SCHEMBL16113475 0.80 GPR119 (0.53) GPR119GRM5CYP1A2
SCHEMBL6154292 0.79 GPR119 (0.52) GPR119GRM5
SCHEMBL6393733 0.78 GRM5 (0.51) GPR119GRM5CYP1A2
SCHEMBL20169983 0.77 ESR2 (0.49) GPR119
SCHEMBL29574544 0.77 ESR2 (0.49) GPR119
SCHEMBL18280115 0.77 GRM5 (0.42) GPR119GRM5F13A1TGM2TGM1
SCHEMBL23783134 0.76 GPR119 (0.39) GPR119GRM5F13A1TGM2TGM1
SCHEMBL460272 0.76 GRM5 (0.47) GPR119GRM5F13A1TGM2TGM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190142810-A1 MITOCHONDRIAL INHIBITORS FOR THE TREATMENT OF PROLIFERATION DISORDERS BASILEA PHARM INT AG (CH) 2019-05-16 — — 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-20190142810-A1 MITOCHONDRIAL INHIBITORS FOR THE TREATMENT OF PROLIFERATION DISORDERS NDUFAB1, FH, MT-ND1 GPR119 855/4885GRM5 4580/4885CYP1A2 832/4885

“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.

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