SCHEMBL6489969

SCHEMBL6489969

O=C1CC(C(=O)N2CCC(c3cccc(Br)c3)CC2)CCc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.41
HRH3 Q9Y5N1 1/20 0.39
HTR7 P34969 2/20 0.38
NAMPT P43490 5/20 0.37
MGLL Q99685 1/20 0.37
PTGS2 P35354 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAP1LC3B Q9GZQ8 1/20 0.36
HTR2B P41595 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL6493038 0.88 BACE1 (0.46) BACE1HRH3HTR7NAMPTHTR2B
SCHEMBL6490738 0.87 ADAMTS5 (0.46) MEN1KMT2A
SCHEMBL6493917 0.83 RAB9A (0.46) HTR7NAMPTHPGDSMN1; SMN2
SCHEMBL6501083 0.81 HTR7 (0.46) HTR7MGLLMEN1KMT2AHPGD
SCHEMBL6504218 0.79 HTR7 (0.47) HTR7MEN1KMT2ASMN1; SMN2
SCHEMBL6501091 0.78 HTR7 (0.48) HTR7MGLLMEN1KMT2A
SCHEMBL6490907 0.78 BACE1 (0.47) BACE1HRH3HTR2BHPGDSMN1; SMN2
SCHEMBL6489735 0.78 BACE1 (0.48) BACE1HRH3NAMPTHTR2BSMN1; SMN2
SCHEMBL6499829 0.78 BACE1 (0.48) BACE1HRH3NAMPTHTR2BSMN1; SMN2
SCHEMBL6533127 0.78 BACE1 (0.48) BACE1HRH3NAMPTHTR2BSMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6969724-B2 Compounds SMITHKLINE BEECHAM-SPA (GB) 2005-11-29 US disclosed
US-20040024218-A1 Novel compounds SMITHKLINE BEECHAM SPA 2004-02-05 US disclosed
EP-1129072-A2 N-SUBSTITUTED AZACYCLES, THEIR PREPARATION AND THEIR USE AS ORL-1 RECEPTOR LIGANDS Smithkline Beecham S.p.A. (IT) 2001-09-05 EP disclosed
WO-2000027815-A2 N-SUBSTITUTED AZACYCLES, THEIR PREPARATION AND THEIR USE AS ORL-1 RECEPTOR LIGANDS SMITHKLINE BEECHAM SPA (IT) 2000-05-18 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-20040024218-A1 Novel compounds OXER1, CLIC1, CCR1 BACE1 3422/4885HRH3 276/4885HTR7 1189/4885

“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.