SCHEMBL5387404

SCHEMBL5387404

O=C(O)CCCN1CCC(c2c[nH]c3c(Cl)cccc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.60
OPRK1 P41145 2/20 0.60
OPRL1 P41146 2/20 0.60
CCR2 P41597 5/20 0.48
ADRA1D P25100 4/20 0.47
HTR4 Q13639 2/20 0.46
SLC6A4 P31645 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
SCHEMBL5384939 0.97 OPRM1 (0.59) OPRM1OPRK1OPRL1CCR2ADRA1D
SCHEMBL5387677 0.96 OPRM1 (0.58) OPRM1OPRK1OPRL1CCR2ADRA1D
SCHEMBL5387561 0.93 OPRM1 (0.62) OPRM1OPRK1OPRL1CCR2ADRA1D
SCHEMBL7090081 0.87 CCR2 (0.53) OPRM1OPRK1OPRL1CCR2ADRA1D
SCHEMBL5396966 0.83 OPRM1 (0.51) OPRM1OPRK1OPRL1CCR2ADRA1D
SCHEMBL5384995 0.83 CCR2 (0.51) CCR2ADRA1DHTR4
SCHEMBL5405266 0.81 OPRM1 (0.51) OPRM1OPRK1OPRL1CCR2ADRA1D
SCHEMBL27598011 0.80 OPRM1 (0.59) OPRM1OPRK1OPRL1CCR2SLC6A4
SCHEMBL5493668 0.80 OPRM1 (0.50) OPRM1OPRK1OPRL1CCR2ADRA1D
SCHEMBL5396156 0.80 CCR2 (0.52) 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 OPRM1 105/4885OPRK1 45/4885OPRL1 48/4885
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.