SCHEMBL513546

SCHEMBL513546

Cc1noc(C=C2CCN(c3nc(C(C)C)ccc3[N+](=O)[O-])CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.38
POLB P06746 5/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.35
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
TNNI3 P19429 1/20 0.31
TNNT2 P45379 1/20 0.31
TNNC1 P63316 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL512658 0.88 GRM5 (0.48) GRM5POLBALDH1A1MAPTMAPK1
SCHEMBL514928 0.82 GRM5 (0.46) GRM5POLBALDH1A1MAPTMAPK1
SCHEMBL513812 0.74 GRM5 (0.45) GRM5POLBMAPTCYP3A4TP53
SCHEMBL513343 0.72 GRM5 (0.42) GRM5POLBALDH1A1MAPTMAPK1
SCHEMBL512866 0.71 GRM5 (0.48) GRM5POLBALDH1A1MAPTMAPK1
SCHEMBL514979 0.71 GRM5 (0.48) GRM5POLBALDH1A1MAPTMAPK1
SCHEMBL513314 0.71 NPC1 (0.44) GRM5POLBMAPTMAPK1CYP3A4
SCHEMBL512243 0.68 GRM5 (0.46) GRM5POLBALDH1A1MAPTMAPK1
SCHEMBL512661 0.67 GRM5 (0.47) GRM5POLBALDH1A1MAPTMAPK1
SCHEMBL512774 0.67 GRM5 (0.45) GRM5POLBMAPTCYP3A4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-02-02 US claimed
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-02-02 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-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS OPRM1, GRM5, OPRD1 GRM5 2/4885POLB 2550/4885ALDH1A1 2610/4885

“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.