SCHEMBL1799593

SCHEMBL1799593

CC(C)CC1NC2(CCN(C(=O)c3ccc4nonc4c3)CC2)N(Cc2c(Cl)cccc2Cl)C1=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIA3 P42263 1/20 0.41
GRIA4 P48058 1/20 0.41
NAMPT P43490 1/20 0.35
DDR1 Q08345 1/20 0.35
ENPP2 Q13822 8/20 0.34
ATXN2 Q99700 8/20 0.34
ACACB O00763 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
CCR5 P51681 3/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NR1H4 Q96RI1 1/20 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
SCHEMBL1804306 0.85 HPGD (0.43) ALDH1A1HPGD
SCHEMBL1801647 0.84 RAB9A (0.41) DDR1HPGDCCR5
SCHEMBL1802019 0.82 MGLL (0.39) CCR5NPSR1
SCHEMBL1803026 0.81 CYP3A4 (0.43) ALDH1A1NPSR1
SCHEMBL1803452 0.80 NPC1 (0.52) ALDH1A1
SCHEMBL1803334 0.80 LMNA (0.42) ACACBALDH1A1CCR5HTT
SCHEMBL1800844 0.79 HTT (0.39) ALDH1A1HTT
SCHEMBL1799001 0.78 NAA50 (0.38) NAMPTCCR5
SCHEMBL1803739 0.77 KMT2A (0.41) ALDH1A1CCR5
SCHEMBL1802535 0.77 HPGD (0.41) ALDH1A1HPGDCCR5

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 5 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
US-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 US claimed
US-7951815-B2 Substituted 1,4,8-triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2011-05-31 US 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 GRIA3 2596/4885GRIA4 642/4885NAMPT 2046/4885

“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.