SCHEMBL1803385

SCHEMBL1803385

CCOc1ccccc1C(=O)N1CCC2(CC1)NC(CCSC)C(=O)N2C(CC)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.46
CHRM3 P20309 1/20 0.46
NPSR1 Q6W5P4 3/20 0.46
NOD2 Q9HC29 1/20 0.44
TSHR P16473 4/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 2/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HCN1 O60741 2/20 0.35
HCN4 Q9Y3Q4 2/20 0.35

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
SCHEMBL2934155 0.85 CHRM2 (0.47) CHRM2CHRM3NPSR1NOD2TSHR
SCHEMBL1800465 0.81 HTT (0.42) TSHRLMNARAB9AHTTHSD17B10
SCHEMBL1798634 0.81 GAA (0.38) SMN1; SMN2HTTALDH1A1
SCHEMBL1800374 0.81 SCD (0.38) HCRTR1HCRTR2
SCHEMBL3925429 0.80 CYP1A2 (0.41) NPSR1TSHRSMN1; SMN2ALDH1A1KDM4E
SCHEMBL1803789 0.80 CHRM2 (0.45) CHRM2CHRM3NPSR1NOD2TSHR
SCHEMBL1804472 0.79 PROKR1 (0.35) MEN1KMT2A
SCHEMBL1801988 0.79 CHRNA4 (0.36) CHRM2
SCHEMBL1799557 0.79 HPGD (0.39) SMN1; SMN2HTTALOX15ALDH1A1MEN1
SCHEMBL1800700 0.79 CYP3A4 (0.37) NPSR1TDP1ALDH1A1MEN1KMT2A

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 4 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
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 CHRM2 3853/4885CHRM3 3924/4885NPSR1 483/4885

“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.