SCHEMBL5385140

SCHEMBL5385140

O=C(CCCCCN1CCC(c2c[nH]c3cc(Cl)ccc23)CC1)N1CCc2ccccc2C1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 3/20 0.58
ADRA1B P35368 1/20 0.58
CCR2 P41597 6/20 0.51
SLC6A4 P31645 1/20 0.48
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTR1A P08908 3/20 0.47
DRD2 P14416 3/20 0.47

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
SCHEMBL5385197 0.94 ADRA1D (0.56) ADRA1DADRA1BCCR2SLC6A4HPGD
SCHEMBL5397530 0.90 OPRM1 (0.56) ADRA1DADRA1BCCR2HPGDSMN1; SMN2
SCHEMBL5401439 0.85 ADRA1D (0.63) ADRA1DADRA1BSLC6A4HTR1ADRD2
SCHEMBL5380731 0.84 MAPT (0.49) ADRA1DADRA1BCCR2SLC6A4HPGD
SCHEMBL5386780 0.84 OPRM1 (0.49) ADRA1DADRA1BCCR2SLC6A4HTR1A
SCHEMBL5394770 0.84 ADRA1D (0.64) ADRA1DADRA1BSLC6A4HTR1ADRD2
SCHEMBL5385241 0.84 CCR2 (0.48) ADRA1DADRA1BCCR2HTR1ADRD2
SCHEMBL5493668 0.83 OPRM1 (0.50) ADRA1DADRA1BCCR2HTR1ADRD2
SCHEMBL5384956 0.83 CCR2 (0.47) ADRA1DADRA1BCCR2HTR1ADRD2
SCHEMBL5389068 0.83 CCR2 (0.54) ADRA1DCCR2SLC6A4

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 12 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
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 ADRA1D 84/4885ADRA1B 153/4885CCR2 442/4885
US-20030191133-A1 Indole derivatives useful for the treatment of CNS disorders TPH1, CHRM1, TPH2 ADRA1D 157/4885ADRA1B 243/4885CCR2 171/4885

“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.