SCHEMBL6924599

SCHEMBL6924599

CC(C)Oc1ccccc1N1CCN(CCCN2CCN(c3ccccc3)C2=O)CC1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 6/20 0.57
ADRA1B P35368 6/20 0.57
ADRA1D P25100 5/20 0.57
HTR1A P08908 4/20 0.51
SLC6A4 P31645 1/20 0.49
DRD2 P14416 1/20 0.48
DRD3 P35462 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
SCHEMBL6926592 0.91 ADRA1A (0.52) ADRA1AADRA1BADRA1DHTR1ASLC6A4
SCHEMBL7344989 0.86 HTR1A (0.64) ADRA1AADRA1BADRA1DHTR1ADRD2
SCHEMBL6924603 0.84 DRD3 (0.55) HTR1ADRD2DRD3
SCHEMBL7351802 0.84 HTR1A (0.58) ADRA1AADRA1BADRA1DHTR1ASLC6A4
SCHEMBL7344855 0.81 DRD2 (0.63) ADRA1AADRA1BADRA1DHTR1ADRD2
Hydrochloric Acid SCHEMBL7347501 0.79 DRD2 (0.62) ADRA1AADRA1BADRA1DHTR1ADRD2
SCHEMBL7068893 0.78 KCNH2 (0.64) HTR1ADRD2DRD3
SCHEMBL6926353 0.78 ADRA1A (0.51) ADRA1AADRA1BADRA1DHTR1ASLC6A4
SCHEMBL5813172 0.78 ADRA1A (0.61) ADRA1AADRA1BADRA1DHTR1ADRD2
SCHEMBL5808327 0.77 DRD2 (0.77) ADRA1AADRA1BADRA1DHTR1ADRD2

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.