SCHEMBL5401439

SCHEMBL5401439

O=C(CCCCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1)N1CCc2ccccc2C1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.63
ADRA1B P35368 1/20 0.63
HTR1D P28221 7/20 0.56
HTR1B P28222 5/20 0.56
DRD2 P14416 4/20 0.56
CHRM2 P08172 1/20 0.56
HTR1A P08908 4/20 0.55
SLC6A4 P31645 4/20 0.55
HTR2A P28223 3/20 0.55
HTR7 P34969 3/20 0.55
HTR6 P50406 3/20 0.55

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
SCHEMBL5394770 0.99 ADRA1D (0.64) ADRA1DADRA1BHTR1DHTR1BDRD2
SCHEMBL5388158 0.97 ADRA1D (0.65) ADRA1DADRA1BHTR1DHTR1BDRD2
SCHEMBL5405240 0.94 ADRA1D (0.61) ADRA1DADRA1BHTR1DDRD2HTR1A
SCHEMBL5493040 0.87 ADRA1D (0.67) ADRA1DADRA1BHTR1DHTR1BDRD2
SCHEMBL5396886 0.86 ADRA1D (0.82) ADRA1DADRA1BDRD2HTR1ASLC6A4
SCHEMBL5397530 0.86 OPRM1 (0.56) ADRA1DADRA1BHTR6
SCHEMBL5385140 0.85 ADRA1D (0.58) ADRA1DADRA1BDRD2HTR1ASLC6A4
SCHEMBL5388166 0.84 HTR1D (0.53) ADRA1DADRA1BHTR1DHTR1BDRD2
SCHEMBL5388175 0.84 ADRA1D (0.50) ADRA1DADRA1BDRD2HTR1ASLC6A4
SCHEMBL5388941 0.83 DRD2 (0.53) ADRA1DADRA1BHTR1DHTR1BDRD2

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 10 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-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
EP-1786790-A1 OXAZOLE DERIVATIVES AS HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-05-23 EP disclosed
WO-2006019833-A1 OXAZOLE DERIVATIVES AS HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-02-23 WO 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 ADRA1D 84/4885ADRA1B 153/4885HTR1D 16/4885
US-20030191133-A1 Indole derivatives useful for the treatment of CNS disorders TPH1, CHRM1, TPH2 ADRA1D 157/4885ADRA1B 243/4885HTR1D 22/4885

“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.