SCHEMBL1801496

SCHEMBL1801496

CCCCN1C(=O)C(CCSC)NC12CCN(C(=O)C1CCCCC1)CC2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 10/20 0.38
HSD11B1 P28845 1/20 0.36
ALDH1A1 P00352 4/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33

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
SCHEMBL3914971 0.86 CCR5 (0.35) CCR5CYP3A4CYP2C9
SCHEMBL2940210 0.85 ITGB3 (0.36) CCR5HSD11B1ALDH1A1TSHRLMNA
SCHEMBL1802660 0.82 L3MBTL1 (0.31) CCR5HSD11B1ALDH1A1TSHRMEN1
SCHEMBL3925435 0.82 CCR5 (0.37) CCR5CYP3A4CYP2C9
SCHEMBL4039483 0.81 CCR5 (0.34) CCR5CYP3A4CYP2C9
SCHEMBL1803393 0.81 CCR5 (0.49) CCR5ALDH1A1TSHRMEN1KMT2A
SCHEMBL4038217 0.80 CCR5 (0.32) CCR5
SCHEMBL1798561 0.78 CCR5 (0.35) CCR5HSD11B1ALDH1A1TSHRMEN1
SCHEMBL4042277 0.78 CCR5 (0.33) CCR5CYP3A4CYP2C9
SCHEMBL4042766 0.78 CCR5 (0.35) CCR5CYP3A4CYP2C9

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 4456/4885HSD11B1 2681/4885ALDH1A1 2780/4885

“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.