SCHEMBL2402380

SCHEMBL2402380

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.40
USP2 O75604 2/20 0.38
ALDH1A1 P00352 9/20 0.37
CYP2C19 P33261 3/20 0.37
MAPK1 P28482 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CYP2C9 P11712 4/20 0.36
TSHR P16473 1/20 0.36
CYP3A4 P08684 3/20 0.35
CYP2D6 P10635 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL25159789 0.84 GPR119 (0.37) GPR119
SCHEMBL1639199 0.82 GPR119 (0.57) GPR119USP2TSHRHSD17B10SMN1; SMN2
SCHEMBL2400832 0.81 GPR119 (0.37) GPR119USP2KMT2AMEN1
SCHEMBL13170192 0.81 MEN1 (0.39) USP2ALDH1A1CYP2C19MAPK1KMT2A
SCHEMBL22057286 0.80 GPR119 (0.35) GPR119KMT2ACYP2D6
SCHEMBL12901482 0.79 MEN1 (0.38) USP2ALDH1A1CYP2C19MAPK1KMT2A
SCHEMBL2401291 0.78 L3MBTL1 (0.47) GPR119ALDH1A1KMT2AMEN1
SCHEMBL4070022 0.78 GPR119 (0.34) GPR119KMT2AKDM4E
SCHEMBL2400307 0.76 CYP2D6 (0.44) CYP2C19MAPK1KMT2AMEN1CYP2D6
SCHEMBL2307102 0.76 GPR119 (0.31) GPR119

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 GPR119 883/4885USP2 1957/4885ALDH1A1 156/4885

“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.