SCHEMBL6928609

SCHEMBL6928609

CCCOc1ccc(F)cc1C1CCN(CCCCN2CCN(C3CCCCC3)C2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PER2 O15055 5/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
HTR2A P28223 6/20 0.41
HTR1A P08908 6/20 0.41
DRD2 P14416 5/20 0.41
HTR7 P34969 2/20 0.41
ADRA1A P35348 2/20 0.41
HTR6 P50406 2/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1B P35368 1/20 0.41
HRH3 Q9Y5N1 3/20 0.40
KCNH2 Q12809 2/20 0.40
HRH2 P25021 1/20 0.39
HTR2C P28335 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL6922568 0.90 DRD2 (0.47) PTGDR2HTR2AHTR1ADRD2HTR7
SCHEMBL6922900 0.90 PTGDR (0.43) PTGDR2HRH2ALDH1A1
SCHEMBL6924581 0.89 DRD2 (0.46) PTGDR2HTR1ADRD2HTR7HRH3
SCHEMBL6928925 0.88 DRD2 (0.47) PTGDR2HTR2AHTR1ADRD2HTR7
SCHEMBL6928511 0.87 PTGDR2 (0.46) PTGDR2HRH3HRH2HRH1ALDH1A1
SCHEMBL6928602 0.87 PER2 (0.46) PER2PTGDR2DRD2ADRA1AADRA1D
SCHEMBL6929465 0.84 HTR1A (0.41) PTGDR2HTR1ADRD2HTR7HRH3
SCHEMBL6923216 0.78 DRD2 (0.41) PER2PTGDR2HTR1ADRD2HTR7
SCHEMBL6926357 0.78 DRD2 (0.52) HTR1ADRD2DRD3ALDH1A1
SCHEMBL6926295 0.78 PTGDR2 (0.41) PER2PTGDR2HTR2AHTR1ADRD2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030120070-A1 Serotonin 5-HT1A and dopamin D2 receptor ligands H. LUNDBECK A/S (DE) 2003-06-26 US disclosed
US-6514993-B1 Useful in the treatment of certain psychic and neurologic disorders H. LUNDBECK A/S (DK) 2003-02-04 US disclosed
EP-0770066-B1 SEROTONIN 5-HT 1A AND DOPAMIN D2 RECEPTOR LIGANDS LUNDBECK & CO AS H (DK) 2000-05-17 EP disclosed
EP-0770066-A1 SEROTONIN 5-HT 1A AND DOPAMIN D2 RECEPTOR LIGANDS H. LUNDBECK A/S (DK) 1997-05-02 EP disclosed
WO-1995033729-A1 SEROTONIN 5-HT1A AND DOPAMIN D2 RECEPTOR LIGANDS H. LUNDBECK A/S (DK) 1995-12-14 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 (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-20030120070-A1 Serotonin 5-HT1A and dopamin D2 receptor ligands HTR5A, HTR2C, HTR1D PER2 1532/4885PTGDR2 166/4885HTR2A 6/4885

“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.