SCHEMBL5388166

SCHEMBL5388166

O=C(CCCCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1)N1CCCc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 7/20 0.53
HTR1B P28222 5/20 0.53
DRD2 P14416 4/20 0.53
CHRM2 P08172 1/20 0.53
HTR1A P08908 4/20 0.53
SLC6A4 P31645 4/20 0.53
HTR2A P28223 3/20 0.53
HTR7 P34969 3/20 0.53
HTR6 P50406 3/20 0.53
ADRA1D P25100 1/20 0.51
ADRA1B P35368 1/20 0.51

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
SCHEMBL5388941 0.99 DRD2 (0.53) HTR1DHTR1BDRD2CHRM2HTR1A
SCHEMBL5404487 0.97 ADRA1D (0.53) HTR1DHTR1BDRD2CHRM2HTR1A
SCHEMBL5380932 0.93 OPRM1 (0.52) HTR1DDRD2HTR1ASLC6A4HTR2A
SCHEMBL5394671 0.87 OPRM1 (0.53) HTR2AHTR7ADRA1D
SCHEMBL5393529 0.86 ADRA1D (0.57) DRD2HTR1ASLC6A4HTR2AHTR7
SCHEMBL5380731 0.85 MAPT (0.49) SLC6A4HTR2AHTR7ADRA1DADRA1B
SCHEMBL5389484 0.85 ADRA1D (0.58) DRD2HTR1ASLC6A4HTR2AHTR7
SCHEMBL5401439 0.84 ADRA1D (0.63) HTR1DHTR1BDRD2CHRM2HTR1A
SCHEMBL5394770 0.83 ADRA1D (0.64) HTR1DHTR1BDRD2CHRM2HTR1A
SCHEMBL5388989 0.83 ADRA1D (0.60) DRD2HTR1ASLC6A4HTR2AHTR7

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-1468996-B1 Indole derivatives for the treatment of CNS disorders LUNDBECK & CO AS H (DK) 2007-09-26 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
EP-1294710-A1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS H. LUNDBECK A/S (DK) 2003-03-26 EP claimed
WO-2001096328-A1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS H. LUNDBECK A/S (DK) 2001-12-20 WO 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

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 HTR1D 16/4885HTR1B 23/4885DRD2 14/4885
US-20030191133-A1 Indole derivatives useful for the treatment of CNS disorders TPH1, CHRM1, TPH2 HTR1D 22/4885HTR1B 25/4885DRD2 47/4885

“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.