SCHEMBL1801683

SCHEMBL1801683

CC(C)C1NC2(CCN(C(=O)c3ccccc3C(=O)OCc3ccccc3)CC2)N(Cc2ccccc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ELANE P08246 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CCR5 P51681 5/20 0.36
KDM4E B2RXH2 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
RIPK1 Q13546 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
SCHEMBL1804457 0.90 TACR1 (0.36) ALDH1A1CHRM3BRD4CREBBPTDP1
SCHEMBL5151527 0.89 CHRM2 (0.40) ALDH1A1CHRM2CHRM3CYP3A4L3MBTL1
SCHEMBL1803702 0.82 CYP2C19 (0.43) ALDH1A1CHRM2CHRM3TSHRCYP3A4
SCHEMBL1800929 0.81 CYP3A4 (0.53) ALDH1A1CHRM2CHRM3TSHRCYP3A4
SCHEMBL1805280 0.81 ALDH1A1 (0.53) ALDH1A1CHRM2TSHRCYP3A4MAPK1
SCHEMBL3927025 0.80 CYP3A4 (0.44) ALDH1A1CYP3A4CCR5KDM4ERIPK1
SCHEMBL5151460 0.79 CHRM3 (0.39) CHRM3CCR5
SCHEMBL1800778 0.78 NPC1 (0.38) CYP3A4MEN1KMT2ACCR5RIPK1
SCHEMBL1803133 0.77 CYP2C9 (0.41) ALDH1A1BRD4CREBBPTSHRMEN1
SCHEMBL4037625 0.76 ALDH1A1 (0.40) ALDH1A1TSHRCYP3A4L3MBTL1CCR5

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 ALDH1A1 2780/4885CHRM2 3853/4885CHRM3 3924/4885

“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.