SCHEMBL5068418

SCHEMBL5068418

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.44
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
ACHE P22303 4/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
KCNQ4 P56696 1/20 0.35
KCNMA1 Q12791 1/20 0.35
KCNQ5 Q9NR82 1/20 0.35

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
SCHEMBL2495042 0.92 BRD4 (0.51) BRD4AVPR1AAVPR1BOXTRAVPR2
SCHEMBL2497748 0.91 AVPR1A (0.51) BRD4AVPR1AAVPR1BOXTRAVPR2
SCHEMBL2498127 0.91 AVPR1A (0.51) BRD4AVPR1AAVPR1BOXTRAVPR2
SCHEMBL2498927 0.91 AVPR1A (0.51) BRD4AVPR1AAVPR1BOXTRAVPR2
SCHEMBL2499475 0.91 AVPR1A (0.51) BRD4AVPR1AAVPR1BOXTRAVPR2
SCHEMBL5070494 0.89 AVPR1A (0.51) BRD4AVPR1AAVPR1BOXTRAVPR2
SCHEMBL2495725 0.89 BRD4 (0.40) BRD4AVPR1AAVPR1BOXTRAVPR2
SCHEMBL2501951 0.86 AVPR1A (0.54) BRD4AVPR1AAVPR1BOXTRAVPR2
SCHEMBL2497100 0.84 AVPR1B (0.51) BRD4AVPR1AAVPR1BOXTRAVPR2
SCHEMBL2499794 0.82 AVPR1B (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.