SCHEMBL1803789

SCHEMBL1803789

CCCCC(C(=O)O)N1C(=O)C(CC(C)C)NC12CCN(C(=O)c1ccccc1OCC)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.45
CHRM3 P20309 1/20 0.45
NPSR1 Q6W5P4 3/20 0.44
NOD2 Q9HC29 1/20 0.44
HCRTR1 O43613 2/20 0.40
HCRTR2 O43614 2/20 0.40
TSHR P16473 4/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 1/20 0.40
HTT P42858 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
EPHX2 P34913 1/20 0.38
KDM5A P29375 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 2/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL2936250 0.82 CHRM2 (0.48) CHRM2CHRM3NPSR1NOD2HCRTR1
SCHEMBL1803385 0.80 CHRM2 (0.46) CHRM2CHRM3NPSR1NOD2HCRTR1
SCHEMBL1798461 0.74 CYP2D6 (0.48) CHRM2NPSR1TSHRSMN1; SMN2ALDH1A1
SCHEMBL1800528 0.72 ADAMTS5 (0.34)
SCHEMBL1799979 0.71 CYP3A4 (0.40) NPSR1TSHRTDP1KDM4EALDH1A1
SCHEMBL2934155 0.69 CHRM2 (0.47) CHRM2CHRM3NPSR1NOD2HCRTR1
SCHEMBL1809243 0.69 AVPR1A (0.50) CHRM2MEN1KMT2A
SCHEMBL1799769 0.69 CYP3A4 (0.36) NPSR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL1801813 0.69 CYP2C9 (0.49) CHRM2TSHRLMNASMN1; SMN2HTT
SCHEMBL1801627 0.68 PKM (0.54) TSHRLMNASMN1; SMN2KDM4EALDH1A1

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.