SCHEMBL6929465

SCHEMBL6929465

CCCOc1cc(Cl)ccc1C1CCN(CCCCN2CCN(C3CCCCC3)C2=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
KCNH2 Q12809 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
DRD2 P14416 2/20 0.38
DRD3 P35462 1/20 0.38
HRH3 Q9Y5N1 6/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6922568 0.88 DRD2 (0.47) HTR1AHTR7LMNAMEN1ALDH1A1
SCHEMBL6924581 0.87 DRD2 (0.46) HTR1AHTR7KDM4EMEN1ALDH1A1
SCHEMBL6929462 0.87 KCNH2 (0.40) KCNH2MEN1KMT2ADRD2DRD3
SCHEMBL6928925 0.86 DRD2 (0.47) HTR1AHTR7MEN1ALDH1A1KMT2A
SCHEMBL6928609 0.84 PER2 (0.43) HTR1AHTR7KCNH2ALDH1A1DRD2
SCHEMBL6922900 0.84 PTGDR (0.43) LMNAKDM4EMEN1ALDH1A1KMT2A
SCHEMBL6928511 0.82 PTGDR2 (0.46) LMNAKDM4EMEN1ALDH1A1KMT2A
SCHEMBL6923216 0.76 DRD2 (0.41) HTR1AHTR7KCNH2MEN1ALDH1A1
SCHEMBL6926357 0.76 DRD2 (0.52) HTR1AKDM4EALDH1A1DRD2DRD3
SCHEMBL6926295 0.76 PTGDR2 (0.41) HTR1AHTR7MEN1KMT2ADRD2

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 HTR1A 5/4885HTR7 4/4885KCNH2 233/4885

“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.