SCHEMBL3766601

SCHEMBL3766601

CN(C)CCOc1ccc2c(c1)CN(C(=O)c1cc(C(=O)N3Cc4ccccc4C3)c(O)cc1O)C2

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 9/20 0.81
HSP90B1 P14625 6/20 0.81
HSP90AA1 P07900 11/20 0.59
HSP90AB1 P08238 6/20 0.59
MGLL Q99685 1/20 0.56
ABHD6 Q9BV23 1/20 0.56

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
SCHEMBL30845992 0.90 TRAP1 (1.00) TRAP1HSP90B1HSP90AA1HSP90AB1MGLL
SCHEMBL27147739 0.90 TRAP1 (1.00) TRAP1HSP90B1HSP90AA1HSP90AB1MGLL
SCHEMBL3766471 0.89 TRAP1 (0.66) TRAP1HSP90B1HSP90AA1HSP90AB1MGLL
SCHEMBL6968644 0.88 TRAP1 (0.65) TRAP1HSP90B1HSP90AA1HSP90AB1MGLL
SCHEMBL382495 0.88 HSP90B1 (0.67) TRAP1HSP90B1HSP90AA1HSP90AB1MGLL
SCHEMBL3244310 0.86 TRAP1 (0.62) TRAP1HSP90B1HSP90AA1HSP90AB1MGLL
SCHEMBL27153241 0.85 TRAP1 (1.00) TRAP1HSP90B1HSP90AA1HSP90AB1
SCHEMBL30845994 0.85 TRAP1 (1.00) TRAP1HSP90B1HSP90AA1HSP90AB1
SCHEMBL6970203 0.84 TRAP1 (0.66) TRAP1HSP90B1HSP90AA1HSP90AB1MGLL
SCHEMBL6970937 0.84 TRAP1 (0.59) TRAP1HSP90B1HSP90AA1HSP90AB1MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2181092-B1 1,3-DIHYDROISOINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2015-01-14 EP claimed
US-20100311745-A1 1,3-DIHYDROISOINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-12-09 US claimed
EP-2181092-B1 1,3-DIHYDROISOINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2015-01-14 EP disclosed
EP-2181092-B1 1,3-DIHYDROISOINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2015-01-14 EP disclosed
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-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
US-20100311745-A1 1,3-DIHYDROISOINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-12-09 US disclosed
WO-2009030316-A1 1,3-DIHYDROISOINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2009-03-12 WO 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 4/4885HSP90AA1 2/4885

“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.