SCHEMBL6922900

SCHEMBL6922900

CCCOc1ccc(Br)cc1C1CCN(CCCCN2CCN(C3CCCCC3)C2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
KDM4E B2RXH2 8/20 0.42
ALDH1A1 P00352 5/20 0.41
LMNA P02545 3/20 0.37
HRH2 P25021 1/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ACHE P22303 1/20 0.36
HTR4 Q13639 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6928609 0.90 PER2 (0.43) PTGDR2ALDH1A1HRH2
SCHEMBL6922568 0.88 DRD2 (0.47) PTGDR2ALDH1A1LMNAMEN1KMT2A
SCHEMBL6924581 0.87 DRD2 (0.46) PTGDR2KDM4EALDH1A1MEN1CYP3A4
SCHEMBL6928511 0.87 PTGDR2 (0.46) PTGDR2KDM4EALDH1A1LMNAHRH2
SCHEMBL6922897 0.87 PTGDR (0.39) PTGDRPTGDR2KDM4EALDH1A1ACHE
SCHEMBL6928925 0.86 DRD2 (0.47) PTGDR2ALDH1A1HRH2MEN1KMT2A
SCHEMBL6929465 0.84 HTR1A (0.41) PTGDR2KDM4EALDH1A1LMNAMEN1
SCHEMBL6923216 0.76 DRD2 (0.41) PTGDR2ALDH1A1MEN1CYP2C9KMT2A
SCHEMBL6926357 0.76 DRD2 (0.52) KDM4EALDH1A1TDP1
SCHEMBL6928602 0.76 PER2 (0.46) PTGDR2

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 PTGDR 115/4885PTGDR2 166/4885KDM4E 3785/4885

“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.