SCHEMBL1798636

SCHEMBL1798636

CCCCN1C(=O)C(Cc2ccccc2)NC12CCN(C(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F)CC2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
HTR2B P41595 1/20 0.42
MAPK14 Q16539 1/20 0.42
CCR5 P51681 5/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
UBE2M P61081 3/20 0.39
DCUN1D1 Q96GG9 3/20 0.39
TACR1 P25103 4/20 0.38
USP2 O75604 2/20 0.37
CXCR3 P49682 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CXCR4 P61073 2/20 0.36
MDM2 Q00987 1/20 0.36

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
SCHEMBL1799842 0.92 CYP2C9 (0.42) CYP2C19CYP2C9HTR2BMAPK14CCR5
SCHEMBL2943403 0.80 CYP2C19 (0.44) CYP2C19CYP2C9HTR2BMAPK14CYP3A4
SCHEMBL1799118 0.80 SCD (0.40) CYP2C19CYP2C9HTR2BMAPK14CCR5
SCHEMBL1800591 0.79 CYP1A2 (0.47) CYP2C19CYP2C9CCR5CYP3A4USP2
SCHEMBL1798573 0.78 CCR5 (0.41) CCR5CYP3A4CXCR3CXCR4
SCHEMBL1799723 0.77 L3MBTL1 (0.42) CYP2C19CYP2C9CCR5CXCR3CXCR4
SCHEMBL1799831 0.77 NAMPT (0.39) CCR5CXCR3
SCHEMBL1800950 0.77 CYP2C19 (0.42) CYP2C19CYP2C9HTR2BMAPK14CYP3A4
SCHEMBL3919295 0.77 KMT2A (0.45) CCR5CXCR3ALDH1A1CXCR4
SCHEMBL1799903 0.76 CYP2D6 (0.47) CYP2C19CYP2C9CCR5CYP3A4USP2

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 12 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
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 disclosed
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 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 CYP2C19 295/4885CYP2C9 429/4885HTR2B 844/4885

“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.