SCHEMBL5756786

SCHEMBL5756786

COc1ccc2cc([C@H]3CCN[C@H](C)C3)sc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.43
SLC6A4 P31645 1/20 0.43
CA2 P00918 1/20 0.40
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
HTR2C P28335 2/20 0.36
CHRNA7 P36544 3/20 0.36
PSMB8 P28062 1/20 0.35
PLG P00747 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
CDK1 P06493 2/20 0.33
MAPKAPK2 P49137 2/20 0.33
PDK1 Q15118 1/20 0.33
ALK Q9UM73 1/20 0.33

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
SCHEMBL5758630 1.00 HTR1A (0.43) HTR1ASLC6A4CA2PDE3BPDE3A
SCHEMBL5756792 1.00 HTR1A (0.43) HTR1ASLC6A4CA2PDE3BPDE3A
SCHEMBL6313101 1.00 HTR1A (0.43) HTR1ASLC6A4CA2PDE3BPDE3A
Hydrochloric Acid SCHEMBL7102200 0.99 HTR1A (0.42) HTR1ASLC6A4CA2PDE3BPDE3A
SCHEMBL6311284 0.85 HTR2C (0.50) HTR1ASLC6A4CA2PDE3BPDE3A
Water SCHEMBL7870821 0.84 HTR2C (0.49) HTR1ASLC6A4CA2PDE3BPDE3A
SCHEMBL5760244 0.83 HTR1A (0.37) HTR1ASLC6A4HTR2CCHRNA7PLG
SCHEMBL7127432 0.83 HTR1A (0.37) HTR1ASLC6A4HTR2CCHRNA7PLG
SCHEMBL5760384 0.83 HTR1A (0.37) HTR1ASLC6A4HTR2CCHRNA7PLG
SCHEMBL5758671 0.83 HTR1A (0.40) HTR1ASLC6A4HTR2CCHRNA7PLG

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 9 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
EP-1242411-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AND ANXIETY ELI LILLY AND COMPANY (US) 2002-09-25 EP disclosed
WO-2001046181-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AND ANXIETY ELI LILLY AND COMPANY (US) 2001-06-28 WO 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.