SCHEMBL1801126

SCHEMBL1801126

CCC(CC)C(=O)N1CCC2(CC1)NC(CC(C)C)C(=O)N2Cc1cc(C)cc(C)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 16/20 0.37
MMP2 P08253 1/20 0.32
MMP13 P45452 1/20 0.32
MMP14 P50281 1/20 0.32
ADAM17 P78536 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL1801253 0.84 CCR5 (0.36) CCR5
SCHEMBL2934540 0.81 GPR183 (0.44) CCR5LMNAKMT2AGAAL3MBTL1
SCHEMBL1799234 0.81 GPR183 (0.44) CCR5LMNAKMT2AGAAL3MBTL1
SCHEMBL1799403 0.81 ALDH1A1 (0.39) CCR5LMNAKMT2A
SCHEMBL1802342 0.79 KDM4E (0.39) KMT2A
SCHEMBL1802066 0.78 CYP2C9 (0.41) CCR5
SCHEMBL2934997 0.77 CXCR3 (0.41) CCR5GAAL3MBTL1
SCHEMBL1800769 0.77 CXCR3 (0.41) CCR5GAAL3MBTL1
SCHEMBL1800786 0.77 GPR183 (0.39) CCR5KMT2AGAA
Hydrochloric Acid SCHEMBL1800156 0.77 CCR5 (0.41) CCR5KMT2AGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951815-B2 Substituted 1,4,8-triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2011-05-31 US claimed
EP-1730147-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY GRUENENTHAL GMBH (DE) 2010-02-03 EP claimed
WO-2005095402-A9 SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY GRUENENTHAL GMBH (DE) 2009-06-11 WO claimed
US-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 US claimed
EP-1730147-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY Grünenthal GmbH (DE) 2006-12-13 EP claimed
WO-2005095402-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY Grünenthal GmbH (DE) 2005-10-13 WO claimed
US-7951815-B2 Substituted 1,4,8-triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2011-05-31 US disclosed
EP-1730147-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY GRUENENTHAL GMBH (DE) 2010-02-03 EP disclosed
WO-2005095402-A9 SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY GRUENENTHAL GMBH (DE) 2009-06-11 WO disclosed
US-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 US 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-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds SI, SSTR4, SLC10A2 CCR5 4456/4885MMP2 1705/4885MMP13 4106/4885

“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.