SCHEMBL5396156

SCHEMBL5396156

O=C(O)CCCCN1CCC(c2c[nH]c3cccc(Cl)c23)CC1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 12/20 0.52
ADRA1D P25100 3/20 0.48
SLC6A4 P31645 1/20 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
SCHEMBL5399661 0.99 CCR2 (0.53) CCR2ADRA1DSLC6A4
SCHEMBL5384995 0.97 CCR2 (0.51) CCR2ADRA1D
SCHEMBL5389620 0.92 CCR2 (0.48) CCR2ADRA1D
SCHEMBL5392667 0.86 SLC6A4 (0.52) CCR2ADRA1DSLC6A4
SCHEMBL5385643 0.84 HTR4 (0.48) CCR2ADRA1DSLC6A4
SCHEMBL8876433 0.83 SLC6A4 (0.61) CCR2ADRA1DSLC6A4
SCHEMBL5384956 0.83 CCR2 (0.47) CCR2ADRA1D
SCHEMBL5384939 0.83 OPRM1 (0.59) CCR2ADRA1DSLC6A4
SCHEMBL5385241 0.82 CCR2 (0.48) CCR2ADRA1D
SCHEMBL5387677 0.82 OPRM1 (0.58) CCR2ADRA1DSLC6A4

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 8 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

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 CCR2 442/4885ADRA1D 84/4885SLC6A4 4/4885
US-20030191133-A1 Indole derivatives useful for the treatment of CNS disorders TPH1, CHRM1, TPH2 CCR2 171/4885ADRA1D 157/4885SLC6A4 26/4885

“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.