SCHEMBL5385643

SCHEMBL5385643

O=C(O)CCCN1CCC(c2c[nH]c3cccc(F)c23)CC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.48
SLC6A4 P31645 2/20 0.48
ADRA1D P25100 4/20 0.47
CCR2 P41597 2/20 0.46
HTR1F P30939 1/20 0.46

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
SCHEMBL5392667 0.96 SLC6A4 (0.52) SLC6A4ADRA1DCCR2
SCHEMBL5380517 0.93 HTR1F (0.48) SLC6A4ADRA1DCCR2HTR1F
SCHEMBL5384995 0.87 CCR2 (0.51) HTR4ADRA1DCCR2
SCHEMBL8879463 0.85 SLC6A4 (0.62) SLC6A4ADRA1D
SCHEMBL5396156 0.84 CCR2 (0.52) SLC6A4ADRA1DCCR2
SCHEMBL5399661 0.83 CCR2 (0.53) SLC6A4ADRA1DCCR2
SCHEMBL5392366 0.83 ADRA1D (0.51) SLC6A4ADRA1DHTR1F
SCHEMBL8878576 0.83 SLC6A4 (0.55) SLC6A4ADRA1D
SCHEMBL5389421 0.81 ALDH1A1 (0.47) ADRA1D
SCHEMBL5389620 0.80 CCR2 (0.48) ADRA1DCCR2HTR1F

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
CN-100415737-C Indole derivatives for the treatment of CNS disorders LUNDBECK & CO AS H (DK) 2008-09-03 CN disclosed
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 HTR4 1/4885SLC6A4 4/4885ADRA1D 84/4885
US-20030191133-A1 Indole derivatives useful for the treatment of CNS disorders TPH1, CHRM1, TPH2 HTR4 12/4885SLC6A4 26/4885ADRA1D 157/4885

“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.