SCHEMBL2496940

SCHEMBL2496940

CN(C)C(=O)[C@@H]1C[C@@H](O)CN1C1(c2cccc3c2OCO3)C(=O)Nc2ccc(OC(F)(F)F)cc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.38
AVPR1A P37288 5/20 0.37
AVPR1B P47901 5/20 0.37
OXTR P30559 4/20 0.37
AVPR2 P30518 3/20 0.37
GPR65 Q8IYL9 1/20 0.37
MAOB P27338 1/20 0.37
ABL1 P00519 3/20 0.33
TRPV1 Q8NER1 2/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
LIPE Q05469 1/20 0.31

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
SCHEMBL2498353 0.88 BRD4 (0.39) BRD4AVPR1AAVPR1BOXTRAVPR2
SCHEMBL2495336 0.87 BRD4 (0.41) BRD4AVPR1AAVPR1BOXTRAVPR2
SCHEMBL2496752 0.86 L3MBTL1 (0.39) BRD4AVPR1AAVPR1BOXTRAVPR2
SCHEMBL2494027 0.86 AVPR1A (0.44) BRD4AVPR1AAVPR1BOXTRAVPR2
SCHEMBL5357275 0.85 AVPR1A (0.51) BRD4AVPR1AAVPR1BOXTRAVPR2
SCHEMBL2493428 0.84 BRD4 (0.38) BRD4AVPR1AAVPR1BOXTRAVPR2
SCHEMBL2498096 0.83 BRD4 (0.37) BRD4AVPR1AAVPR1BOXTRAVPR2
SCHEMBL2495051 0.81 AVPR1A (0.42) BRD4AVPR1AAVPR1BOXTRAVPR2
SCHEMBL2497606 0.81 AVPR1A (0.36) BRD4AVPR1AAVPR1BOXTRAVPR2
SCHEMBL2497539 0.80 AVPR1A (0.38) BRD4AVPR1AAVPR1BOXTRAVPR2

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 BRD4 822/4885AVPR1A 2/4885AVPR1B 1/4885

“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.