SCHEMBL2494894

SCHEMBL2494894

COc1ccc(C)cc1C1(N2C[C@H](O)C[C@H]2C(=O)N(C)C)C(=O)Nc2ccc(Br)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 5/20 0.41
AVPR1B P47901 5/20 0.41
OXTR P30559 4/20 0.41
AVPR2 P30518 3/20 0.41
GPR65 Q8IYL9 1/20 0.41
BRD4 O60885 4/20 0.41
RECQL P46063 1/20 0.37
LMNA P02545 2/20 0.34
PKM P14618 1/20 0.34
KCNT1 Q5JUK3 1/20 0.33
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
TSHR P16473 1/20 0.31
GAA P10253 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
SCHEMBL2498927 0.90 AVPR1A (0.51) AVPR1AAVPR1BOXTRAVPR2GPR65
SCHEMBL2499475 0.90 AVPR1A (0.51) AVPR1AAVPR1BOXTRAVPR2GPR65
SCHEMBL2498127 0.90 AVPR1A (0.51) AVPR1AAVPR1BOXTRAVPR2GPR65
SCHEMBL2497748 0.90 AVPR1A (0.51) AVPR1AAVPR1BOXTRAVPR2GPR65
SCHEMBL5345573 0.89 AVPR1A (0.51) AVPR1AAVPR1BOXTRAVPR2GPR65
SCHEMBL2493274 0.88 AVPR1A (0.40) AVPR1AAVPR1BOXTRAVPR2GPR65
SCHEMBL2501951 0.85 AVPR1A (0.54) AVPR1AAVPR1BOXTRAVPR2GPR65
SCHEMBL2496640 0.84 AVPR1A (0.44) AVPR1AAVPR1BOXTRAVPR2GPR65
SCHEMBL2497100 0.83 AVPR1B (0.51) AVPR1AAVPR1BOXTRAVPR2GPR65
SCHEMBL2499794 0.82 AVPR1B (0.58) 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 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 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.