SCHEMBL6490738

SCHEMBL6490738

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.46
NPC1 O15118 1/20 0.46
SCD5 Q86SK9 4/20 0.45
PARP10 Q53GL7 2/20 0.44
CHRM4 P08173 1/20 0.43
LIPE Q05469 2/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ATM Q13315 1/20 0.41
PARP14 Q460N5 1/20 0.41
CNR1 P21554 1/20 0.39

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
SCHEMBL6493917 0.89 RAB9A (0.46) ADAMTS5NPC1CHRM4ATM
SCHEMBL6493038 0.88 BACE1 (0.46)
SCHEMBL6489969 0.87 BACE1 (0.41) KMT2AMEN1
SCHEMBL6080657 0.85 LIPE (0.46) ADAMTS5NPC1SCD5PARP10CHRM4
SCHEMBL6498530 0.84 ADAMTS5 (0.44) ADAMTS5NPC1SCD5PARP10LIPE
SCHEMBL6501083 0.81 HTR7 (0.46) CHRM4KMT2AMEN1
SCHEMBL6504218 0.79 HTR7 (0.47) KMT2AMEN1
SCHEMBL6499841 0.78 NPC1 (0.42) NPC1KMT2AMEN1ATM
SCHEMBL6501091 0.78 HTR7 (0.48) KMT2AMEN1
SCHEMBL6489735 0.78 BACE1 (0.48) NPC1

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 ADAMTS5 4882/4885NPC1 791/4885SCD5 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.