SCHEMBL6498974

SCHEMBL6498974

COc1cccc2c1C(=O)CC(C(=O)N1CCC(c3ccccc3)CC1)CC2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
EPHX2 P34913 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR7 P34969 1/20 0.43
APLNR P35414 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HSD11B1 P28845 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CCR5 P51681 1/20 0.40

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
SCHEMBL6075908 0.87 KMT2A (0.48) KMT2AMEN1ALDH1A1L3MBTL1EPHX2
SCHEMBL6493038 0.81 BACE1 (0.46) HTR7HSD11B1
SCHEMBL6497782 0.80 HTR7 (0.67) KMT2AMEN1ALDH1A1MAPTHTR7
SCHEMBL6504577 0.80 CYP1A2 (0.50) ALDH1A1EPHX2MAPTKDM4EHPGD
SCHEMBL6492368 0.79 GRIN2B (0.56) HSD11B1
SCHEMBL6501083 0.78 HTR7 (0.46) KMT2AMEN1ALDH1A1RAB9AHTR7
SCHEMBL6493917 0.77 RAB9A (0.46) ALDH1A1L3MBTL1NPC1MAPTRAB9A
SCHEMBL6498530 0.77 ADAMTS5 (0.44) KMT2AMEN1ALDH1A1NPC1MAPT
SCHEMBL6075954 0.75 KMT2A (0.53) KMT2AMEN1ALDH1A1MAPTHTR7
SCHEMBL6489969 0.75 BACE1 (0.41) KMT2AMEN1SMN1; SMN2HTR7HPGD

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 KMT2A 3155/4885MEN1 3540/4885ALDH1A1 345/4885

“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.