SCHEMBL2942901

SCHEMBL2942901

CSCCC1NC2(CCN(C(=O)c3ccno3)CC2)N(CC(=O)O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 2/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRM2 P08172 1/20 0.35
NAMPT P43490 1/20 0.34
PARP1 P09874 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 1/20 0.31
CACNA1G O43497 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL2938492 0.84 CHRNA4 (0.41) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL1801988 0.84 CHRNA4 (0.36) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL2943567 0.81 PROKR1 (0.36) ALDH1A1HTTKMT2A
SCHEMBL2943345 0.80 MEN1 (0.40) ALDH1A1GAAKMT2A
SCHEMBL2942272 0.79 GAA (0.40) ALDH1A1HTTGAA
SCHEMBL2943359 0.79 HPGD (0.41) ALDH1A1HTTKMT2A
SCHEMBL1800410 0.79 OPRM1 (0.32) ALDH1A1HTTMAPT
SCHEMBL4292851 0.79 CHRNA4 (0.40) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL2938884 0.79 HTT (0.43) ALDH1A1HTTMAPTKMT2A
SCHEMBL2936852 0.78 HRH3 (0.44) NAMPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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 CHRNA4 3953/4885CHRNB2 4248/4885CHRNB4 3769/4885

“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.