SCHEMBL2500248

SCHEMBL2500248

O=C([C@@H]1C[C@@H](OC(=O)C(F)(F)F)CN1)N1CCC1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.47
KCNH2 Q12809 8/20 0.45
HDAC2 Q92769 1/20 0.44
DPP4 P27487 1/20 0.43

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
SCHEMBL5068419 0.79 CYP2D6 (0.44)
SCHEMBL17422956 0.79 CYP2D6 (0.44)
SCHEMBL2712123 0.76 DPP4 (0.60) DPP4
SCHEMBL2492730 0.75 CHRNB2 (0.34)
SCHEMBL2496516 0.74 DPP4 (0.35) DPP4
SCHEMBL2497616 0.74 DPP4 (0.35) DPP4
SCHEMBL2494836 0.74 DPP4 (0.35) DPP4
SCHEMBL2493614 0.74 DPP4 (0.35) DPP4
Trifluoroacetic Acid SCHEMBL2500245 0.74 HDAC2 (0.46) HRH3HDAC2DPP4
Trifluoroacetic Acid SCHEMBL2495000 0.74 HDAC2 (0.46) HRH3KCNH2HDAC2DPP4

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
US-8030499-B2 1,3-dihydro-2H-indole-2-one compound and pyrrolidine-2-one compound fused with aromatic heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-10-04 US disclosed
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-25 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-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle AVPR1B, AVPR1A, AVPR2 HRH3 18/4885KCNH2 1200/4885HDAC2 324/4885

“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.