SCHEMBL6971008

SCHEMBL6971008

Cc1ccc(CN(C)C(=O)c2cc(C(=O)N3Cc4ccc(OCCCN5CCCC5)cc4C3)c(O)cc2O)s1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.47
MAOB P27338 8/20 0.45
TRAP1 Q12931 6/20 0.45
HSP90B1 P14625 5/20 0.45

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
SCHEMBL6971062 0.99 HRH3 (0.49) HRH3MAOBTRAP1HSP90B1
SCHEMBL6971836 0.96 TRAP1 (0.44) HRH3MAOBTRAP1HSP90B1
SCHEMBL6968228 0.95 MGLL (0.45) HRH3MAOBTRAP1HSP90B1
SCHEMBL6970347 0.95 TRAP1 (0.45) HRH3MAOBTRAP1HSP90B1
SCHEMBL6971064 0.93 TRAP1 (0.43) HRH3MAOBTRAP1HSP90B1
SCHEMBL6971386 0.92 TRAP1 (0.44) HRH3MAOBTRAP1HSP90B1
SCHEMBL6971981 0.89 TRAP1 (0.43) HRH3TRAP1HSP90B1
SCHEMBL6971423 0.89 TRAP1 (0.41) HRH3MAOBTRAP1HSP90B1
SCHEMBL6972476 0.89 TRAP1 (0.58) HRH3TRAP1HSP90B1
SCHEMBL3768682 0.88 TRAP1 (0.57) TRAP1HSP90B1

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 HRH3 513/4885MAOB 2890/4885TRAP1 11/4885

“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.