SCHEMBL7068893

SCHEMBL7068893

O=C1N(CCCCN2CCN(c3ccccc3)CC2)CCN1c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.64
DRD2 P14416 4/20 0.63
DRD3 P35462 4/20 0.63
HTR1A P08908 9/20 0.59
DRD5 P21918 2/20 0.59
HTR7 P34969 5/20 0.57
SIGMAR1 Q99720 3/20 0.56
CYP2D6 P10635 1/20 0.55
HTR2A P28223 1/20 0.51
HRH1 P35367 1/20 0.51
TMEM97 Q5BJF2 1/20 0.51

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
SCHEMBL7344855 0.97 DRD2 (0.63) KCNH2DRD2DRD3HTR1ADRD5
Hydrochloric Acid SCHEMBL7347501 0.96 DRD2 (0.62) KCNH2DRD2DRD3HTR1ADRD5
SCHEMBL7346970 0.86 KCNH2 (0.67) KCNH2DRD2DRD3HTR1AHTR7
SCHEMBL9299310 0.84 DRD2 (0.54) KCNH2DRD2DRD3HTR1ASIGMAR1
SCHEMBL7344989 0.83 HTR1A (0.64) DRD2DRD3HTR1ADRD5HTR7
SCHEMBL7351802 0.81 HTR1A (0.58) DRD2DRD3HTR1AHTR7HTR2A
SCHEMBL7352917 0.81 DRD2 (0.60) KCNH2DRD2DRD3HTR2A
SCHEMBL7936545 0.81 DRD2 (0.60) KCNH2DRD2DRD3HTR2A
SCHEMBL8686095 0.79 S1PR1 (0.60) KCNH2DRD2DRD3
SCHEMBL4528457 0.79 KCNH2 (1.00) KCNH2DRD2DRD3HTR1AHTR7

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 KCNH2 233/4885DRD2 7/4885DRD3 17/4885

“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.