SCHEMBL2401291

SCHEMBL2401291

CCCCCC(=O)N1CCC2(CC1)CC(C(=O)O)=NO2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GNAI3 P08754 9/20 0.42
GNAI1 P63096 9/20 0.42
GNAO1 P09471 8/20 0.40
POLB P06746 1/20 0.40
GPR119 Q8TDV5 1/20 0.38
NAAA Q02083 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 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
SCHEMBL2404697 0.81 GNAI3 (0.39) L3MBTL1MEN1KMT2ATDP1GNAI3
SCHEMBL2399298 0.79 RAB9A (0.56) L3MBTL1MEN1KMT2APOLBALDH1A1
SCHEMBL2584142 0.74 MAPT (0.49) MEN1KMT2APOLBGPR119LMNA
SCHEMBL2400865 0.73 GAA (0.40) TDP1POLBALDH1A1LMNAMAPT
SCHEMBL2400758 0.72 SLC6A7 (0.44) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL22057286 0.72 GPR119 (0.35) KMT2AGPR119
SCHEMBL2400919 0.71 ALDH1A1 (0.59) L3MBTL1ALDH1A1LMNA
SCHEMBL22417656 0.71 RAB9A (0.41) L3MBTL1MEN1KMT2AALDH1A1LMNA
SCHEMBL2404903 0.71 GRM5 (0.52) ALDH1A1
SCHEMBL20743778 0.69 NPC1 (0.39) L3MBTL1GNAI3GNAI1GNAO1GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557796-B2 Substituted 1-oxa-2,8-diaza-spiro [4,5] dec-2-ene derivatives and related treatment methods GRUENENTHAL GMBH (DE) 2013-10-15 US disclosed
US-8048890-B2 Analgesics; neuropathic pain; headaches; muscle relaxants; incontence; tinnitus; diarrhea; antiarrhythmia agents; antiischemic agents; antiinflammatory agents; antiulcer agents; antidepressants; antiepileptic agents GRUENENTHAL GMBH (DE) 2011-11-01 US disclosed
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods GRUENENTHAL GMBH (DE) 2011-09-15 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-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 L3MBTL1 4865/4885MEN1 2995/4885KMT2A 3636/4885

“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.