SCHEMBL5392500

SCHEMBL5392500

O=C1CCc2ccccc2N1CCCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.75
HTR1A P08908 2/20 0.75
SLC6A4 P31645 2/20 0.75
HTR7 P34969 2/20 0.75
HTR6 P50406 2/20 0.75
DRD4 P21917 1/20 0.75
HTR2A P28223 1/20 0.75
HTR2C P28335 1/20 0.75
DRD3 P35462 1/20 0.75
HTR2B P41595 1/20 0.75

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
SCHEMBL5387582 0.99 DRD2 (0.75) DRD2HTR1ASLC6A4HTR7HTR6
SCHEMBL5389927 0.98 DRD2 (0.75) DRD2HTR1ASLC6A4HTR7HTR6
SCHEMBL1040205 0.86 DRD2 (1.00) DRD2HTR1ASLC6A4HTR7HTR6
SCHEMBL5401393 0.84 DRD2 (0.66) DRD2HTR1ASLC6A4HTR7HTR6
SCHEMBL793141 0.84 DRD2 (1.00) DRD2HTR1ASLC6A4HTR7HTR6
SCHEMBL5389283 0.83 DRD2 (0.67) DRD2HTR1ASLC6A4HTR7HTR6
SCHEMBL5392775 0.82 DRD2 (0.66) DRD2HTR1ASLC6A4HTR7HTR6
SCHEMBL7134140 0.82 DRD2 (0.98) DRD2HTR1ASLC6A4HTR7HTR6
SCHEMBL15064308 0.80 DRD2 (0.89) DRD2HTR1ASLC6A4HTR7HTR6
SCHEMBL5385150 0.79 DRD2 (0.52) DRD2HTR1ASLC6A4HTR7HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1294710-B1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS LUNDBECK & CO AS H (DK) 2005-06-08 EP claimed
US-6890916-B2 Indole derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DK) 2005-05-10 US claimed
EP-1468996-A1 Indole derivatives for the treatment of CNS disorders H. Lundbeck A/S (DK) 2004-10-20 EP claimed
US-20030191133-A1 Indole derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DK) 2003-10-09 US claimed
US-7276508-B2 Indole derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DK) 2007-10-02 US disclosed
EP-1468996-B1 Indole derivatives for the treatment of CNS disorders LUNDBECK & CO AS H (DK) 2007-09-26 EP disclosed
US-20050176729-A1 Indole derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DK) 2005-08-11 US disclosed
EP-1294710-B1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS LUNDBECK & CO AS H (DK) 2005-06-08 EP disclosed
US-6890916-B2 Indole derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DK) 2005-05-10 US disclosed
EP-1468996-A1 Indole derivatives for the treatment of CNS disorders H. Lundbeck A/S (DK) 2004-10-20 EP disclosed
US-20030191133-A1 Indole derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DK) 2003-10-09 US disclosed
EP-1294710-A1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS H. LUNDBECK A/S (DK) 2003-03-26 EP disclosed
WO-2001096328-A1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS H. LUNDBECK A/S (DK) 2001-12-20 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-20050176729-A1 Indole derivatives useful for the treatment of CNS disorders HTR4, TPH1, SLC6A3 DRD2 14/4885HTR1A 7/4885SLC6A4 4/4885
US-20030191133-A1 Indole derivatives useful for the treatment of CNS disorders TPH1, CHRM1, TPH2 DRD2 47/4885HTR1A 11/4885SLC6A4 26/4885

“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.