SCHEMBL6499095

SCHEMBL6499095

O=C1CC(C(=O)N2CCC(c3ccccc3)CC2)CCc2c1cccc2-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.44
BACE1 P56817 2/20 0.43
SCD5 Q86SK9 2/20 0.41
CCR5 P51681 3/20 0.40
SIGMAR1 Q99720 1/20 0.40
PRCP P42785 1/20 0.40
MAPK1 P28482 1/20 0.40
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
SLC18A3 Q16572 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
SCD O00767 1/20 0.39
USP30 Q70CQ3 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL6499625 0.89 SPR (0.43) HTR2BBACE1SCD5SIGMAR1MAPK1
SCHEMBL6490937 0.89 BACE1 (0.43) HTR2BBACE1SCD5CCR5SIGMAR1
SCHEMBL6501862 0.88 BACE1 (0.42) HTR2BBACE1SIGMAR1MAPK1KCNH2
SCHEMBL6490907 0.88 BACE1 (0.47) HTR2BBACE1SCD5CCR5SIGMAR1
SCHEMBL6499841 0.88 NPC1 (0.42) HTR2BBACE1SIGMAR1MAPK1KCNH2
SCHEMBL6075908 0.85 KMT2A (0.48) CCR5SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL6493038 0.83 BACE1 (0.46) HTR2BBACE1MAPK1KCNH2HRH3
SCHEMBL6490895 0.81 HTT (0.46) SMN1; SMN2MEN1KMT2A
SCHEMBL6490446 0.79 BACE1 (0.41) HTR2BBACE1KCNH2HRH3SMN1; SMN2
SCHEMBL6265806 0.78 ADAM17 (0.43) SMN1; SMN2MEN1TSHRKMT2ANPC1

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 HTR2B 1592/4885BACE1 3422/4885SCD5 4818/4885

“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.