SCHEMBL141535

SCHEMBL141535

C=C1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
POLB P06746 3/20 0.51
MAPT P10636 2/20 0.51
MAPK1 P28482 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
GRM5 P41594 5/20 0.50
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.43
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 1/20 0.41
CTSB P07858 1/20 0.40
CTSH P09668 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HSD11B1 P28845 1/20 0.38

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
SCHEMBL136072 0.87 LMNA (0.59) ALDH1A1POLBMAPTMAPK1TDP1
SCHEMBL6284789 0.81 MAPT (0.52) ALDH1A1POLBMAPTMAPK1TDP1
SCHEMBL3715234 0.80 GRM5 (0.46) ALDH1A1POLBMAPTMAPK1TDP1
SCHEMBL513428 0.79 GRM5 (0.60) ALDH1A1POLBMAPTMAPK1TDP1
SCHEMBL512328 0.77 GRM5 (0.48) ALDH1A1POLBMAPTMAPK1TDP1
SCHEMBL14377339 0.77 ALDH1A1 (0.51) ALDH1A1POLBMAPTMAPK1TDP1
SCHEMBL514159 0.76 GRM5 (0.62) ALDH1A1POLBMAPTMAPK1TDP1
SCHEMBL3720958 0.76 GRM5 (0.49) ALDH1A1POLBMAPTMAPK1TDP1
SCHEMBL3775736 0.76 GRM5 (0.49) ALDH1A1POLBMAPTMAPK1TDP1
SCHEMBL135728 0.75 LMNA (0.76) ALDH1A1POLBMAPTMAPK1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590985-B1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LTD (IE) 2014-05-14 EP disclosed
US-8580962-B2 Spiroheterocyclic compounds as mGlu5 antagonists RECORDATI IRELAND LTD. (IT) 2013-11-12 US disclosed
EP-2590985-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2013-05-15 EP disclosed
US-20120059015-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LTD. (IT) 2012-03-08 US disclosed
WO-2012004400-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-01-12 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 (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-20120059015-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS GRM5, GPR65, GRIK5 ALDH1A1 1514/4885POLB 4532/4885MAPT 3429/4885

“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.