SCHEMBL5389484

SCHEMBL5389484

Fc1ccc2[nH]cc(C3CCN(CCCCN4CCCc5ccccc54)CC3)c2c1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 3/20 0.58
ADRA1B P35368 1/20 0.58
HTR7 P34969 5/20 0.56
HTR1A P08908 5/20 0.56
HTR2A P28223 4/20 0.56
SLC6A4 P31645 4/20 0.56
DRD2 P14416 3/20 0.56
HTR6 P50406 3/20 0.56
OPRM1 P35372 2/20 0.55
OPRK1 P41145 2/20 0.55
OPRL1 P41146 2/20 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
SCHEMBL5393529 0.99 ADRA1D (0.57) ADRA1DADRA1BHTR7HTR1AHTR2A
SCHEMBL5388989 0.98 ADRA1D (0.60) ADRA1DADRA1BHTR7HTR1AHTR2A
SCHEMBL5392528 0.89 OPRM1 (0.58) ADRA1DHTR7HTR2ASLC6A4OPRM1
SCHEMBL5392499 0.88 OPRM1 (0.57) ADRA1DHTR7HTR2ASLC6A4OPRM1
SCHEMBL5383625 0.87 OPRM1 (0.58) ADRA1DADRA1BHTR7HTR2ASLC6A4
SCHEMBL5388941 0.85 DRD2 (0.53) ADRA1DADRA1BHTR7HTR1AHTR2A
SCHEMBL5388166 0.85 HTR1D (0.53) ADRA1DADRA1BHTR7HTR1AHTR2A
SCHEMBL5404487 0.84 ADRA1D (0.53) ADRA1DADRA1BHTR7HTR1AHTR2A
SCHEMBL5387903 0.84 HTR1A (0.66) HTR7HTR1AHTR2ASLC6A4DRD2
SCHEMBL5389417 0.83 HTR1A (0.65) HTR7HTR1AHTR2ASLC6A4DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 ADRA1D 84/4885ADRA1B 153/4885HTR7 42/4885
US-20030191133-A1 Indole derivatives useful for the treatment of CNS disorders TPH1, CHRM1, TPH2 ADRA1D 157/4885ADRA1B 243/4885HTR7 23/4885

“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.