SCHEMBL6922897

SCHEMBL6922897

CC(C)Oc1ccc(Br)cc1C1CCN(CCCCN2CCN(C3CCCCC3)C2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
CACNA1G O43497 1/20 0.37
KCNH2 Q12809 1/20 0.37
KDM4E B2RXH2 2/20 0.36
TP53 P04637 5/20 0.36
ALDH1A1 P00352 1/20 0.36
PER2 O15055 3/20 0.36
ACHE P22303 1/20 0.33
HTR4 Q13639 1/20 0.33

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
SCHEMBL6928602 0.89 PER2 (0.46) PTGDR2PER2
SCHEMBL6922567 0.88 DRD2 (0.42) CACNA1GKCNH2PER2
SCHEMBL6924575 0.87 DRD2 (0.42) CACNA1GKCNH2PER2
SCHEMBL6928509 0.87 PTGDR2 (0.42) PTGDR2KCNH2TP53PER2
SCHEMBL6922900 0.87 PTGDR (0.43) PTGDRPTGDR2KDM4ETP53ALDH1A1
SCHEMBL6928917 0.86 DRD2 (0.42) CACNA1GKCNH2PER2
SCHEMBL6929462 0.84 KCNH2 (0.40) PTGDRPTGDR2KCNH2PER2
SCHEMBL6928221 0.81 DRD2 (0.41) CACNA1GKCNH2PER2
SCHEMBL6928609 0.76 PER2 (0.43) PTGDR2KCNH2ALDH1A1PER2
SCHEMBL6926353 0.76 ADRA1A (0.51)

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 166/4885CACNA1G 1145/4885

“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.