SCHEMBL5380987

SCHEMBL5380987

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

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.62
OPRK1 P41145 2/20 0.62
OPRL1 P41146 2/20 0.62
HTR1D P28221 8/20 0.62
HTR1A P08908 5/20 0.62
SLC6A4 P31645 5/20 0.62
DRD2 P14416 4/20 0.60
HTR7 P34969 3/20 0.60
HTR6 P50406 2/20 0.60
HTR2A P28223 1/20 0.60
HTR1B P28222 5/20 0.59
CHRM2 P08172 1/20 0.59
ADRA1D P25100 1/20 0.56

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
SCHEMBL5389005 0.93 HTR1D (0.63) OPRM1OPRK1OPRL1HTR1DHTR1A
SCHEMBL5385305 0.92 DRD2 (0.65) OPRM1OPRK1OPRL1HTR1DHTR1A
SCHEMBL5389529 0.91 HTR1D (0.66) OPRM1OPRK1OPRL1HTR1DHTR1A
SCHEMBL31295245 0.85 DRD2 (0.64) OPRM1OPRK1OPRL1HTR1DHTR1A
Lithium Ion SCHEMBL31530784 0.84 DRD2 (0.61) OPRM1OPRK1OPRL1HTR1DHTR1A
SCHEMBL8877428 0.83 OPRM1 (0.67) OPRM1OPRK1OPRL1HTR1DHTR1A
SCHEMBL25344822 0.82 HTR1A (0.66) OPRM1OPRK1OPRL1HTR1DHTR1A
Oxalic Acid SCHEMBL9046263 0.82 HTR1D (0.55) OPRM1OPRK1OPRL1HTR1DHTR1A
SCHEMBL5340537 0.82 HSD11B1 (0.68) OPRM1OPRK1OPRL1HTR1DHTR1A
SCHEMBL7529023 0.82 HTR1A (0.64) 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 10 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
EP-1294710-A1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS H. LUNDBECK A/S (DK) 2003-03-26 EP disclosed
WO-2001096328-A1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS H. LUNDBECK A/S (DK) 2001-12-20 WO 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.