SCHEMBL6924581

SCHEMBL6924581

CCCOc1ccccc1C1CCN(CCCCCCN2CCN(C3CCCCC3)C2=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.46
HTR1D P28221 2/20 0.43
HTR1B P28222 2/20 0.43
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
TP53 P04637 1/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39

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 0.99 DRD2 (0.47) DRD2HTR1DHTR1BHTR1AHTR7
SCHEMBL6928925 0.97 DRD2 (0.47) DRD2HTR1DHTR1BHTR1AHTR7
SCHEMBL6928609 0.89 PER2 (0.43) DRD2HTR1AHTR7ALDH1A1HRH3
SCHEMBL6922900 0.87 PTGDR (0.43) TP53ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL6929465 0.87 HTR1A (0.41) DRD2HTR1AHTR7ALDH1A1HRH3
SCHEMBL6923216 0.87 DRD2 (0.41) DRD2HTR1AHTR7ALDH1A1MEN1
SCHEMBL6926295 0.87 PTGDR2 (0.41) DRD2HTR1AHTR7MEN1KMT2A
SCHEMBL6926645 0.86 DRD2 (0.56) DRD2HTR1DHTR1BHTR1AHTR7
SCHEMBL6924575 0.86 DRD2 (0.42) DRD2MEN1KMT2A
SCHEMBL6928511 0.85 PTGDR2 (0.46) ALDH1A1HRH3MEN1KMT2AKDM4E

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 3 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

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 7/4885HTR1D 3/4885HTR1B 15/4885

“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.