SCHEMBL6971809

SCHEMBL6971809

CCN(CC)CCCOc1ccc2c(c1)CN(C(=O)c1cc(C(=O)N(C)Cc3cccs3)c(O)cc1O)C2

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 7/20 0.51
HSP90B1 P14625 5/20 0.51
MAOB P27338 4/20 0.43
HSP90AA1 P07900 5/20 0.41
TRPM8 Q7Z2W7 3/20 0.41
HSP90AB1 P08238 2/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL6971006 0.96 TRAP1 (0.51) TRAP1HSP90B1MAOBHSP90AA1TRPM8
SCHEMBL6969779 0.94 TRAP1 (0.52) TRAP1HSP90B1HSP90AA1TRPM8HSP90AB1
SCHEMBL6970639 0.93 TRAP1 (0.60) TRAP1HSP90B1HSP90AA1HSP90AB1TSHR
SCHEMBL6970552 0.92 TRAP1 (0.51) TRAP1HSP90B1HSP90AA1TRPM8HSP90AB1
SCHEMBL6970937 0.90 TRAP1 (0.59) TRAP1HSP90B1HSP90AA1TRPM8HSP90AB1
SCHEMBL6969775 0.88 TRAP1 (0.48) TRAP1HSP90B1HSP90AA1HSP90AB1TSHR
SCHEMBL6970236 0.88 TRAP1 (0.49) TRAP1HSP90B1MAOBHSP90AA1HSP90AB1
SCHEMBL6970096 0.88 HRH3 (0.49) TRAP1HSP90B1MAOBHSP90AA1HSP90AB1
SCHEMBL6970974 0.87 TRAP1 (0.47) TRAP1HSP90B1HSP90AA1TRPM8HSP90AB1
SCHEMBL6970772 0.87 TRAP1 (0.56) 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.