SCHEMBL5493668

SCHEMBL5493668

O=C(CCCCN1CCC(c2c[nH]c3c(Cl)cccc23)CC1)N1CCc2ccccc2C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.50
OPRK1 P41145 2/20 0.50
OPRL1 P41146 2/20 0.50
ADRA1D P25100 3/20 0.47
ADRA1B P35368 1/20 0.47
CCR2 P41597 5/20 0.46
HTR1A P08908 4/20 0.46
DRD2 P14416 4/20 0.46
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44

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
SCHEMBL5386780 0.99 OPRM1 (0.49) OPRM1OPRK1OPRL1ADRA1DADRA1B
SCHEMBL5396966 0.97 OPRM1 (0.51) OPRM1OPRK1OPRL1ADRA1DADRA1B
SCHEMBL5396910 0.95 OPRM1 (0.52) OPRM1OPRK1OPRL1ADRA1DADRA1B
SCHEMBL5384956 0.86 CCR2 (0.47) ADRA1DADRA1BCCR2HTR1ADRD2
SCHEMBL5385241 0.85 CCR2 (0.48) ADRA1DADRA1BCCR2HTR1ADRD2
SCHEMBL5388923 0.84 OPRM1 (0.50) OPRM1OPRK1OPRL1ADRA1DCCR2
SCHEMBL5384891 0.83 ADRA1D (0.47) ADRA1DADRA1BCCR2HTR1ADRD2
SCHEMBL5389020 0.83 OPRM1 (0.49) OPRM1OPRK1OPRL1ADRA1DCCR2
SCHEMBL5384939 0.83 OPRM1 (0.59) OPRM1OPRK1OPRL1ADRA1DCCR2
SCHEMBL5385140 0.83 ADRA1D (0.58) ADRA1DADRA1BCCR2HTR1ADRD2

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 11 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
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
EP-1468996-B1 Indole derivatives for the treatment of CNS disorders LUNDBECK & CO AS H (DK) 2007-09-26 EP 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 (1 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-20030191133-A1 Indole derivatives useful for the treatment of CNS disorders TPH1, CHRM1, TPH2 OPRM1 13/4885OPRK1 27/4885OPRL1 77/4885

“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.