SCHEMBL6925552

SCHEMBL6925552

O=C1N(CCCCN2CCN(c3ccccc3OC3CCCC3)CC2)CCN1c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.50
DRD3 P35462 3/20 0.50
HTR1A P08908 3/20 0.47
HTR7 P34969 3/20 0.47
DRD4 P21917 1/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 1/20 0.44
NLRP1 Q9C000 1/20 0.44
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR2A P28223 1/20 0.43
HTR6 P50406 1/20 0.43

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 0.83 ADRA1A (0.52) DRD2DRD3HTR1ADRD4LMNA
SCHEMBL6926651 0.82 DRD2 (0.55) DRD2DRD3HTR1AHTR7DRD4
SCHEMBL6926959 0.82 MEN1 (0.47) DRD2DRD3HTR1AHTR7MEN1
SCHEMBL6923214 0.80 DRD2 (0.47) DRD2DRD3HTR1AHTR7DRD4
SCHEMBL7344989 0.78 HTR1A (0.64) DRD2DRD3HTR1AHTR7DRD4
SCHEMBL7351802 0.76 HTR1A (0.58) DRD2DRD3HTR1AHTR7DRD4
SCHEMBL5592219 0.75 HTR7 (0.64) DRD2DRD3HTR1AHTR7ALDH1A1
Hydrochloric Acid SCHEMBL5592239 0.74 HTR7 (0.62) DRD2DRD3HTR1AHTR7ALDH1A1
SCHEMBL4522960 0.74 HTR1A (0.61) DRD2DRD3HTR1AHTR7DRD4
SCHEMBL6924599 0.73 ADRA1A (0.57) DRD2DRD3HTR1A

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 7 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
CN-1067057-C Serotonin 5-HT1A and dopamin D2 receptor ligands LUNDBECK & CO AS H (DK) 2001-06-13 CN disclosed
EP-0770066-B1 SEROTONIN 5-HT 1A AND DOPAMIN D2 RECEPTOR LIGANDS LUNDBECK & CO AS H (DK) 2000-05-17 EP disclosed
CN-1154107-A 5-hydroxytryptamine 5-HT1AAnd dopamine D2Receptor ligands LUNDBECK & CO AS H (DK) 1997-07-09 CN 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 17/4885HTR1A 5/4885

“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.