SCHEMBL6970772

SCHEMBL6970772

CCN(CC)CCCOc1ccc2c(c1)CN(C(=O)c1cc(C(=O)N(C)Cc3ccccc3)c(O)cc1O)C2

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 7/20 0.56
HSP90B1 P14625 5/20 0.56
MAOB P27338 8/20 0.53
BCHE P06276 5/20 0.48
ACHE P22303 5/20 0.48
APP P05067 1/20 0.46
MAOA P21397 1/20 0.46

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
SCHEMBL6970889 0.96 TRAP1 (0.56) TRAP1HSP90B1MAOBBCHEACHE
SCHEMBL6971667 0.94 TRAP1 (0.57) TRAP1HSP90B1MAOB
SCHEMBL6970203 0.92 TRAP1 (0.66) TRAP1HSP90B1MAOB
SCHEMBL6969988 0.92 TRAP1 (0.56) TRAP1HSP90B1MAOB
SCHEMBL3766471 0.90 TRAP1 (0.66) TRAP1HSP90B1MAOB
SCHEMBL6972730 0.89 TRAP1 (0.56) TRAP1HSP90B1MAOBMAOA
SCHEMBL6972427 0.88 TRAP1 (0.55) TRAP1HSP90B1MAOBMAOA
SCHEMBL6970208 0.87 TRAP1 (0.53) TRAP1HSP90B1
SCHEMBL6971809 0.87 TRAP1 (0.51) TRAP1HSP90B1MAOB
SCHEMBL6971394 0.87 TRAP1 (0.51) TRAP1HSP90B1MAOB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183279-B2 1,3-dihydroisoindole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-22 US disclosed
US-8183279-B2 1,3-dihydroisoindole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-22 US disclosed
US-20100311745-A1 1,3-DIHYDROISOINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-12-09 US disclosed
US-20100311745-A1 1,3-DIHYDROISOINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-12-09 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-20100311745-A1 1,3-DIHYDROISOINDOLE DERIVATIVES HSP90AB1, HSP90AA1, HSP90AB2P TRAP1 11/4885HSP90B1 4/4885MAOB 2890/4885

“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.