SCHEMBL6080657

SCHEMBL6080657

Cc1cccc2c1CCC(C(=O)N1CCC(c3cccc(F)c3)CC1)CC2=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 0.46
ADAMTS5 Q9UNA0 2/20 0.44
PARP10 Q53GL7 2/20 0.42
PARP14 Q460N5 1/20 0.41
NPC1 O15118 1/20 0.41
SCD5 Q86SK9 4/20 0.41
DRD4 P21917 1/20 0.41
KCNQ2 O43526 1/20 0.41
CHRM4 P08173 1/20 0.40
ATM Q13315 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 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
SCHEMBL6265806 0.90 ADAM17 (0.43) LIPEADAMTS5NPC1DRD4KMT2A
SCHEMBL6501862 0.89 BACE1 (0.42) LIPENPC1KMT2AMEN1
SCHEMBL6260380 0.87 RORC (0.37) ATMKMT2AMEN1
SCHEMBL6498530 0.87 ADAMTS5 (0.44) LIPEADAMTS5PARP10PARP14NPC1
SCHEMBL6263120 0.86 ALDH1A1 (0.39) KMT2AMEN1
SCHEMBL6075935 0.85 KMT2A (0.40) KMT2AMEN1
SCHEMBL6490738 0.85 ADAMTS5 (0.46) LIPEADAMTS5PARP10PARP14NPC1
SCHEMBL6076026 0.84 ALDH1A1 (0.40) PARP10DRD4CHRM4KMT2AMEN1
SCHEMBL6490761 0.83 OPRL1 (0.43) DRD4KMT2AMEN1
SCHEMBL6264475 0.83 RORC (0.38) KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115633-B2 Central nervous system disorders; Alzheimer's diseases; eating disorders GLAXOSMITHKLINE S.P.A. (IT) 2006-10-03 US disclosed
US-6969724-B2 Compounds SMITHKLINE BEECHAM-SPA (GB) 2005-11-29 US disclosed
US-20040029917-A1 Benzosuberonylpiperdine compounds as analgesics GLAXOSMITHKLINE S.P.A. (IT) 2004-02-12 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 (2 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 LIPE 3326/4885ADAMTS5 4882/4885PARP10 4165/4885
US-20040029917-A1 Benzosuberonylpiperdine compounds as analgesics OPRK1, OPRL1, OPRM1 LIPE 2699/4885ADAMTS5 4834/4885PARP10 3413/4885

“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.