SCHEMBL5380932

SCHEMBL5380932

O=C(CCN1CCC(c2c[nH]c3ccc(F)cc23)CC1)N1CCCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.52
OPRK1 P41145 2/20 0.52
OPRL1 P41146 2/20 0.52
HTR1A P08908 7/20 0.51
SLC6A4 P31645 6/20 0.51
HTR7 P34969 5/20 0.51
DRD2 P14416 4/20 0.51
HTR6 P50406 4/20 0.51
HTR1D P28221 2/20 0.50
HSD11B1 P28845 2/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1B P35368 1/20 0.50
HTR2A P28223 3/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL5404487 0.95 ADRA1D (0.53) OPRM1OPRK1OPRL1HTR1ASLC6A4
SCHEMBL5388941 0.94 DRD2 (0.53) HTR1ASLC6A4HTR7DRD2HTR6
SCHEMBL5388166 0.93 HTR1D (0.53) HTR1ASLC6A4HTR7DRD2HTR6
SCHEMBL5394671 0.85 OPRM1 (0.53) OPRM1OPRK1OPRL1HTR7ADRA1D
SCHEMBL5389416 0.84 DRD2 (0.49) OPRM1OPRK1OPRL1HTR7DRD2
SCHEMBL5387701 0.83 ALDH1A1 (0.48) OPRL1HTR1AHTR7DRD2HTR2A
SCHEMBL5405240 0.82 ADRA1D (0.61) OPRM1OPRK1OPRL1HTR1ASLC6A4
SCHEMBL5389484 0.82 ADRA1D (0.58) OPRM1OPRK1OPRL1HTR1ASLC6A4
SCHEMBL5388989 0.82 ADRA1D (0.60) OPRM1OPRK1OPRL1HTR1ASLC6A4
SCHEMBL5393529 0.81 ADRA1D (0.57) OPRM1OPRK1OPRL1HTR1ASLC6A4

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
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.