SCHEMBL6926540

SCHEMBL6926540

O=C1N(CCCCN2CCN(c3ccccc3OS(=O)(=O)C(F)(F)F)CC2)CCN1C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
ADRA1A P35348 1/20 0.42

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
SCHEMBL6926959 0.83 MEN1 (0.47) MEN1KMT2ADRD2DRD3HTR1A
SCHEMBL6926353 0.81 ADRA1A (0.51) DRD2HTR1AADRA1A
SCHEMBL6926357 0.81 DRD2 (0.52) DRD2DRD3HTR1A
SCHEMBL6923214 0.80 DRD2 (0.47) DRD2DRD3HTR1AHTR7DRD4
SCHEMBL8148403 0.72 HTR1A (0.57) DRD2HTR1A
SCHEMBL14744211 0.72 L3MBTL1 (0.67) MEN1KMT2ADRD2DRD3DRD1
SCHEMBL6927068 0.71 DRD2 (0.41) MEN1KMT2ADRD2HTR7
SCHEMBL8154891 0.70 HTR1A (0.55) DRD2HTR1A
SCHEMBL6766552 0.70 HTR1A (0.47) HTR1A
SCHEMBL6923216 0.70 DRD2 (0.41) MEN1KMT2ADRD2DRD3HTR1A

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 MEN1 3854/4885KMT2A 2068/4885DRD2 7/4885

“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.