SCHEMBL4255322

SCHEMBL4255322

CCOC(=O)C1CCN(c2ncccc2[N+](=O)[O-])CC1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.68
MAPT P10636 7/20 0.64
ALDH1A1 P00352 4/20 0.64
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
TP53 P04637 1/20 0.56
HTT P42858 1/20 0.56
GPR119 Q8TDV5 4/20 0.54
KMT2A Q03164 1/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL4103009 0.87 MAPT (0.68) CTSBMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL3594750 0.83 MAPT (0.59) CTSBMAPTALDH1A1CYP2C19TP53
SCHEMBL12639914 0.83 ALDH1A1 (0.72) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL16648570 0.82 MAPT (0.64) CTSBMAPTALDH1A1CYP2C19TP53
SCHEMBL3436166 0.82 MAPT (0.57) CTSBMAPTALDH1A1TP53HTT
SCHEMBL4706571 0.82 MAPT (0.60) CTSBMAPTALDH1A1TP53HTT
SCHEMBL3642398 0.82 ALDH1A1 (0.78) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3435047 0.81 MAPT (0.69) CTSBMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL3435703 0.81 MAPT (0.57) CTSBMAPTALDH1A1CYP2C19TP53
SCHEMBL28485387 0.81 CYP1A2 (0.61) MAPTALDH1A1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518916-B2 Heterocyclic derivatives as M-GLU5 antagonists RECORDATI IRELAND LIMITED (IE) 2013-08-27 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2009-02-12 US disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 EP disclosed
EP-2004157-A2 USE OF GPR119 RECEPTOR AGONISTS FOR INCREASING BONE MASS AND FOR TREATING OSTEOPOROSIS, AS WELL AS COMBINATION THERAPY RELATING THERETO Arena Pharmaceuticals, Inc. (US) 2008-12-24 EP disclosed
WO-2007120702-A2 USE OF GPR119 RECEPTOR AGONISTS FOR INCREASING BONE MASS AND FOR TREATING OSTEOPOROSIS, AND COMBINATION THERAPY RELATING THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-10-25 WO 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 (2 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-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS GRM5, GRIK5, GRM3 CTSB 2745/4885MAPT 1249/4885ALDH1A1 3393/4885
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 CTSB 2367/4885MAPT 1330/4885ALDH1A1 975/4885

“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.