SCHEMBL6501571

SCHEMBL6501571

O=C1CC(C(=O)N2CCC(c3ccccc3)CC2)CCc2ccc(Cl)cc21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.49
IDO1 P14902 2/20 0.47
HSD11B1 P28845 4/20 0.46
AVPR1A P37288 1/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SPR P35270 1/20 0.44
NAMPT P43490 1/20 0.42
MCHR1 Q99705 1/20 0.41
FPR1 P21462 2/20 0.41
FPR2 P25090 2/20 0.41
HTR2B P41595 1/20 0.41

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 0.86 BACE1 (0.46) BACE1HSD11B1NAMPTHTR2B
SCHEMBL6499625 0.80 SPR (0.43) BACE1IDO1HSD11B1NPC1LMNA
SCHEMBL6499369 0.79 HTR7 (0.54) HTR2B
SCHEMBL6493917 0.79 RAB9A (0.46) NPC1MAPTRAB9ASMN1; SMN2NAMPT
SCHEMBL6492368 0.79 GRIN2B (0.56) BACE1HSD11B1NAMPTHTR2B
SCHEMBL6501023 0.78 F7 (0.42) MAPT
Hydrochloric Acid SCHEMBL6493410 0.78 HTR7 (0.53) HTR2B
SCHEMBL6504218 0.78 HTR7 (0.47) LMNATP53SMN1; SMN2
SCHEMBL6490738 0.77 ADAMTS5 (0.46) NPC1
SCHEMBL6489969 0.77 BACE1 (0.41) BACE1SMN1; SMN2NAMPTHTR2B

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 3422/4885IDO1 2302/4885HSD11B1 1133/4885

“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.