SCHEMBL6928656

SCHEMBL6928656

CC(C)Oc1ccccc1C1=CCN(CCCCn2ccn(C34CC5CC(CC(C5)C3)C4)c2=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.39
CACNA1G O43497 1/20 0.38
KCNH2 Q12809 1/20 0.38
DRD2 P14416 5/20 0.35
HTR7 P34969 3/20 0.35
HTR1A P08908 2/20 0.35
DRD4 P21917 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
DRD3 P35462 1/20 0.35
HTR2B P41595 1/20 0.35
HTR6 P50406 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34

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
Oxalic Acid SCHEMBL6925423 0.96 CACNA1G (0.39) PARP1CACNA1GKCNH2DRD2HTR7
SCHEMBL6928660 0.88 PARP1 (0.38) PARP1CACNA1GKCNH2DRD2HTR7
SCHEMBL6930008 0.80 PARP1 (0.40) PARP1CACNA1GKCNH2DRD2HTR7
SCHEMBL6928733 0.79 DRD2 (0.39) CACNA1GKCNH2DRD2HTR1AHTR2C
SCHEMBL6928639 0.70 PARP1 (0.40) PARP1CACNA1GKCNH2DRD2HTR7
SCHEMBL6928543 0.69 DRD2 (0.43) PARP1CACNA1GKCNH2DRD2HTR7
SCHEMBL6928738 0.68 DRD2 (0.43) DRD2HTR7HTR1AHTR2AHTR2C
SCHEMBL6929156 0.67 DRD2 (0.60) DRD2HTR1ADRD4HTR2ADRD3
SCHEMBL6930016 0.67 PARP1 (0.39) PARP1CACNA1GKCNH2DRD2HTR6
Oxalic Acid SCHEMBL6922849 0.67 CACNA1G (0.41) PARP1CACNA1GKCNH2DRD2HTR1A

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 PARP1 2749/4885CACNA1G 1145/4885KCNH2 233/4885

“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.