SCHEMBL6926592

SCHEMBL6926592

CC(C)Oc1ccccc1N1CCN(CCCCN2CCN(c3ccc(F)cc3)C2=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 5/20 0.52
ADRA1B P35368 5/20 0.52
ADRA1D P25100 4/20 0.52
DRD4 P21917 3/20 0.52
SLC6A4 P31645 1/20 0.49
DRD2 P14416 4/20 0.49
DRD3 P35462 2/20 0.49
HTR1A P08908 1/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 1/20 0.48
NLRP1 Q9C000 1/20 0.48

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
SCHEMBL6924599 0.91 ADRA1A (0.57) ADRA1AADRA1BADRA1DSLC6A4DRD2
SCHEMBL6926651 0.85 DRD2 (0.55) ADRA1AADRA1BADRA1DDRD4DRD2
SCHEMBL6928838 0.83 DRD2 (0.48) DRD2DRD3HTR1A
SCHEMBL6925552 0.83 DRD2 (0.50) DRD4DRD2DRD3HTR1ALMNA
SCHEMBL6923214 0.82 DRD2 (0.47) ADRA1AADRA1BADRA1DDRD4DRD2
SCHEMBL7344989 0.81 HTR1A (0.64) ADRA1AADRA1BADRA1DDRD4DRD2
SCHEMBL7351802 0.80 HTR1A (0.58) ADRA1AADRA1BADRA1DDRD4SLC6A4
SCHEMBL6928543 0.79 DRD2 (0.43) DRD4SLC6A4DRD2DRD3HTR1A
SCHEMBL6926353 0.78 ADRA1A (0.51) ADRA1AADRA1BADRA1DSLC6A4DRD2
SCHEMBL6924603 0.76 DRD3 (0.55) DRD2DRD3HTR1AALDH1A1

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 ADRA1A 110/4885ADRA1B 129/4885ADRA1D 67/4885

“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.