SCHEMBL1801988

SCHEMBL1801988

CCC(C(=O)O)N1C(=O)C(CCSC)NC12CCN(C(=O)c1ccno1)CC2

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 2/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRM2 P08172 1/20 0.36
NAMPT P43490 1/20 0.35
PARP1 P09874 1/20 0.33
CTSK P43235 1/20 0.30
GRM5 P41594 1/20 0.30
JAK1 P23458 1/20 0.30
CACNA1G O43497 1/20 0.30

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
SCHEMBL1801620 0.86 CHRM2 (0.39) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL2942901 0.84 CHRNA4 (0.39) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL1804472 0.83 PROKR1 (0.35)
SCHEMBL1803209 0.82 TSHR (0.38)
SCHEMBL1800465 0.81 HTT (0.42)
SCHEMBL1798634 0.81 GAA (0.38)
SCHEMBL1799557 0.81 HPGD (0.39)
SCHEMBL1800700 0.81 CYP3A4 (0.37) NAMPT
SCHEMBL1802416 0.80 HRH3 (0.48) NAMPT
SCHEMBL1801867 0.80 ATM (0.41)

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 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.