SCHEMBL2495322

SCHEMBL2495322

COc1cccc(C2(N3CCCC[C@H]3C(=O)N(C)C)C(=O)Nc3ccc(C)cc32)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.46
CASP3 P42574 1/20 0.38
OXTR P30559 7/20 0.38
AVPR1B P47901 7/20 0.38
AVPR1A P37288 6/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CTSD P07339 1/20 0.36
CTSE P14091 1/20 0.36
BACE1 P56817 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL2497803 0.91 BRD4 (0.46) BRD4CASP3OXTRAVPR1BAVPR1A
SCHEMBL4590243 0.88 OXTR (0.49) BRD4OXTRAVPR1BAVPR1A
SCHEMBL2498773 0.81 AVPR1B (0.50) BRD4CASP3OXTRAVPR1BAVPR1A
SCHEMBL7076240 0.80 AVPR1B (0.47) BRD4CASP3OXTRAVPR1BAVPR1A
SCHEMBL2499968 0.79 BRD4 (0.49) BRD4CASP3OXTRAVPR1BAVPR1A
SCHEMBL4590690 0.78 OXTR (0.51) BRD4OXTRAVPR1BAVPR1A
SCHEMBL4589816 0.77 AVPR1B (0.56) BRD4OXTRAVPR1BAVPR1AALDH1A1
SCHEMBL2494928 0.77 AVPR1B (0.56) BRD4OXTRAVPR1BAVPR1AALDH1A1
SCHEMBL2500313 0.77 BRD4 (0.41) BRD4CASP3OXTRAVPR1BAVPR1A
SCHEMBL2492934 0.76 AVPR1A (0.53) BRD4OXTRAVPR1BAVPR1A

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 822/4885CASP3 2314/4885OXTR 37/4885

“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.