SCHEMBL6928838

SCHEMBL6928838

CC(C)Oc1ccccc1C1CCN(CCCCN2CCN(c3ccc(F)cc3)C2=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.48
DRD3 P35462 4/20 0.48
KCNH2 Q12809 2/20 0.43
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
RAB9A P51151 1/20 0.41
PKM P14618 1/20 0.40

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
SCHEMBL6928842 0.86 DRD2 (0.47) DRD2DRD3KCNH2HTR1AHTR7
SCHEMBL6926592 0.83 ADRA1A (0.52) DRD2DRD3HTR1A
SCHEMBL6926642 0.83 DRD2 (0.46) DRD2KCNH2
SCHEMBL6927609 0.82 DRD2 (0.49) DRD2DRD3KCNH2HTR1AHTR7
SCHEMBL6922567 0.80 DRD2 (0.42) DRD2KCNH2
SCHEMBL6924575 0.79 DRD2 (0.42) DRD2KCNH2
SCHEMBL6928543 0.78 DRD2 (0.43) DRD2DRD3KCNH2HTR1AHTR7
SCHEMBL6928917 0.78 DRD2 (0.42) DRD2KCNH2
SCHEMBL6927067 0.77 DRD2 (0.40) DRD2KCNH2
SCHEMBL6928602 0.76 PER2 (0.46) DRD2

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 DRD2 7/4885DRD3 17/4885KCNH2 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.