SCHEMBL5760244

SCHEMBL5760244

Cc1ccc2cc(C3CCNC(C)C3)sc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.37
PLG P00747 1/20 0.37
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
SLC6A4 P31645 3/20 0.34
DRD2 P14416 1/20 0.34
CHRNA7 P36544 3/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HTR2C P28335 2/20 0.32
PLAT P00750 1/20 0.30

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
SCHEMBL5760238 1.00 HTR1A (0.37) HTR1APLGHDAC3HDAC4HDAC1
SCHEMBL7127432 1.00 HTR1A (0.37) HTR1APLGHDAC3HDAC4HDAC1
SCHEMBL5760384 1.00 HTR1A (0.37) HTR1APLGHDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL7098171 0.99 HTR1A (0.37) HTR1APLGHDAC3HDAC4HDAC1
SCHEMBL5757030 0.86 HTR1A (0.40) HTR1APLGSLC6A4DRD2CHRNA7
SCHEMBL5759717 0.86 HTR1A (0.40) HTR1APLGSLC6A4DRD2CHRNA7
SCHEMBL5758671 0.86 HTR1A (0.40) HTR1APLGSLC6A4DRD2CHRNA7
SCHEMBL5758221 0.84 HTR2C (0.46) HTR1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL5758349 0.83 SLC6A4 (0.50) HTR1APLGSLC6A4DRD2HTR2C
SCHEMBL5756786 0.83 HTR1A (0.43) HTR1APLGSLC6A4CHRNA7HTR2C

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 6 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-20040006229-A1 Indole derivatives for the treatment of depression and anxiety ELI LILLY AND COMPANY 2004-01-08 US disclosed
US-20030092733-A1 Process for preparing trans-2,4-disubstituted piperidines ELI LILLY AND COMPANY 2003-05-15 US 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

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 4/4885PLG 4654/4885HDAC3 322/4885
US-20030092733-A1 Process for preparing trans-2,4-disubstituted piperidines CYP4B1, CYP1A1, CYP3A4 HTR1A 210/4885PLG 4063/4885HDAC3 238/4885

“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.