SCHEMBL5114594

SCHEMBL5114594

CC(C)(C)OC(=O)N1CCC2(CC1)CC(C(=O)NCc1ccc(Cl)cc1)=NO2

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
GPR119 Q8TDV5 1/20 0.53
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 2/20 0.45
MAPT P10636 1/20 0.45
NAMPT P43490 5/20 0.45
TP53 P04637 1/20 0.42
STS P08842 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL12825427 0.91 SMN1; SMN2 (0.56) SMN1; SMN2HTTNPSR1GPR119MEN1
SCHEMBL5113754 0.90 GPR119 (0.53) SMN1; SMN2HTTNPSR1GPR119MEN1
SCHEMBL2400325 0.90 GPR119 (0.54) SMN1; SMN2HTTNPSR1GPR119MEN1
SCHEMBL5126254 0.89 GPR119 (0.54) SMN1; SMN2HTTNPSR1GPR119MEN1
SCHEMBL5127818 0.85 GPR119 (0.52) SMN1; SMN2HTTNPSR1GPR119MEN1
SCHEMBL5125639 0.84 GPR119 (0.51) SMN1; SMN2HTTNPSR1GPR119MEN1
SCHEMBL5118948 0.83 GPR119 (0.56) SMN1; SMN2HTTNPSR1GPR119MEN1
SCHEMBL1457198 0.82 NAMPT (0.48) LMNAMAPTNAMPTGAA
SCHEMBL5116462 0.82 GPR119 (0.52) SMN1; SMN2GPR119MEN1KMT2ACYP2C19
SCHEMBL5122782 0.81 MEN1 (0.47) SMN1; SMN2HTTMEN1KMT2ALMNA

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
EP-2292625-A1 Substituted spiro compounds and their use for producing pain-relief medicaments Grünenthal GmbH (DE) 2011-03-09 EP disclosed
US-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-09-04 US disclosed
US-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-09-04 US disclosed
US-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-09-04 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-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs REN, PKD1, NR3C2 SMN1; SMN2 4677/4885HTT 1428/4885NPSR1 438/4885

“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.