SCHEMBL2497563

SCHEMBL2497563

COc1ccccc1C1(N2C[C@H](F)C[C@H]2C(=O)N(C)C)C(=O)Nc2ccc(OC(F)(F)F)cc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 4/20 0.43
AVPR1B P47901 4/20 0.43
OXTR P30559 3/20 0.43
AVPR2 P30518 2/20 0.43
GPR65 Q8IYL9 1/20 0.43
PDE4B Q07343 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.35
KMT2A Q03164 1/20 0.35
HCRTR1 O43613 4/20 0.34
HCRTR2 O43614 3/20 0.34
BRD4 O60885 2/20 0.34
TACR1 P25103 2/20 0.34
PPIB P23284 1/20 0.33
PPIA P62937 1/20 0.33
CFD P00746 1/20 0.33

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
SCHEMBL5357275 0.93 AVPR1A (0.51) AVPR1AAVPR1BOXTRAVPR2GPR65
SCHEMBL2495745 0.88 AVPR1A (0.42) AVPR1AAVPR1BOXTRAVPR2GPR65
SCHEMBL2499389 0.88 AVPR1A (0.52) AVPR1AAVPR1BOXTRAVPR2GPR65
SCHEMBL2500497 0.88 AVPR1A (0.52) AVPR1AAVPR1BOXTRAVPR2GPR65
SCHEMBL4479387 0.88 AVPR1A (0.52) AVPR1AAVPR1BOXTRAVPR2GPR65
SCHEMBL2499338 0.88 AVPR1A (0.52) AVPR1AAVPR1BOXTRAVPR2GPR65
SCHEMBL4588878 0.87 OXTR (0.41) AVPR1AAVPR1BOXTRAVPR2GPR65
SCHEMBL2499629 0.82 AVPR2 (0.36) AVPR1AAVPR1BOXTRAVPR2GPR65
SCHEMBL4484480 0.81 AVPR1B (0.43) AVPR1AAVPR1BOXTRAVPR2GPR65
SCHEMBL4473946 0.79 AVPR1B (0.71) AVPR1AAVPR1BOXTRAVPR2GPR65

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 5 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-7528124-B2 1,3-dihydro-2H-indol-2-one derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-05-05 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
US-20060276449-A1 1,3-Dihydro-2h-indol-2-one derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US disclosed
EP-1659121-A1 1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-05-24 EP 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 (2 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-20060276449-A1 1,3-Dihydro-2h-indol-2-one derivative AVPR1B, AVPR2, AVPR1A AVPR1A 3/4885AVPR1B 1/4885OXTR 26/4885
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle AVPR1B, AVPR1A, AVPR2 AVPR1A 2/4885AVPR1B 1/4885OXTR 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.