SCHEMBL1798634

SCHEMBL1798634

CCC(C(=O)O)N1C(=O)C(CCSC)NC12CCN(C(=O)c1cccs1)CC2

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 3/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
POLB P06746 1/20 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
SCHEMBL2942272 0.83 GAA (0.40) GAAL3MBTL1ALDH1A1HTTSMN1; SMN2
SCHEMBL1803209 0.82 TSHR (0.38) GAAALDH1A1SMN1; SMN2CYP2D6CYP2C9
SCHEMBL1801988 0.81 CHRNA4 (0.36)
SCHEMBL1799557 0.81 HPGD (0.39) ALDH1A1HTTSMN1; SMN2
SCHEMBL1800700 0.81 CYP3A4 (0.37) GAAL3MBTL1ALDH1A1CYP2C9CYP2C19
SCHEMBL3925429 0.81 CYP1A2 (0.41) GAAALDH1A1SMN1; SMN2CYP2D6CYP2C9
SCHEMBL1803385 0.81 CHRM2 (0.46) ALDH1A1HTTSMN1; SMN2
SCHEMBL1800342 0.81 MAPT (0.42) GAAL3MBTL1CYP2C19POLB
SCHEMBL1801867 0.80 ATM (0.41) ALDH1A1HTTSMN1; SMN2POLB
SCHEMBL1804472 0.80 PROKR1 (0.35) POLB

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 GAA 143/4885L3MBTL1 4811/4885ALDH1A1 2780/4885

“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.