SCHEMBL5757169

SCHEMBL5757169

COc1cccc2sc([C@@H]3CCN[C@H](C)C3)cc12

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 17/20 0.47
SLC6A4 P31645 7/20 0.47
CA2 P00918 1/20 0.41

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
SCHEMBL5759587 1.00 HTR1A (0.47) HTR1ASLC6A4CA2
SCHEMBL6314181 1.00 HTR1A (0.47) HTR1ASLC6A4CA2
SCHEMBL7118568 1.00 HTR1A (0.47) HTR1ASLC6A4CA2
SCHEMBL5760790 1.00 HTR1A (0.47) HTR1ASLC6A4CA2
SCHEMBL7505264 1.00 HTR1A (0.47) HTR1ASLC6A4CA2
SCHEMBL5762725 0.85 HTR2C (0.51) HTR1ASLC6A4CA2
Hydrochloric Acid SCHEMBL7095913 0.84 HTR2C (0.52) HTR1ASLC6A4CA2
SCHEMBL5758589 0.84 HTR1A (0.41) HTR1ASLC6A4
SCHEMBL5758594 0.84 HTR1A (0.41) HTR1ASLC6A4
SCHEMBL5760366 0.84 HTR1A (0.41) HTR1ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144898-B2 Indole derivatives for the treatment of depression and anxiety ELI LILLY AND COMPANY (US) 2006-12-05 US disclosed
EP-1242411-B1 INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AND ANXIETY LILLY CO ELI (US) 2006-03-08 EP disclosed
US-6844344-B2 Benzofuran derivatives ELI LILLY AND COMPANY (US) 2005-01-18 US disclosed
US-20040006229-A1 Indole derivatives for the treatment of depression and anxiety ELI LILLY AND COMPANY 2004-01-08 US disclosed
US-20030232833-A1 Benzofuran derivatives ELI LILLY AND COMPANY 2003-12-18 US disclosed
EP-1246822-A1 BENZOFURAN DERIVATIVES ELI LILLY AND COMPANY (US) 2002-10-09 EP disclosed
WO-2001046177-A1 BENZOFURAN DERIVATIVES ELI LILLY AND COMPANY (US) 2001-06-28 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 (2 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-20040006229-A1 Indole derivatives for the treatment of depression and anxiety IDO1, TPH1, IDO2 HTR1A 4/4885SLC6A4 45/4885CA2 3251/4885
US-20030232833-A1 Benzofuran derivatives BRD1, BPTF, HTR1F HTR1A 8/4885SLC6A4 227/4885CA2 4073/4885

“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.