SCHEMBL4934264

SCHEMBL4934264

CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)c2c1C1CCC2C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ADORA1 P30542 1/20 0.51
SLC5A1 P13866 1/20 0.48
SLC5A2 P31639 1/20 0.48
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CASP3 P42574 1/20 0.45
CA9 Q16790 1/20 0.45
MITF O75030 1/20 0.45
LMNA P02545 2/20 0.44
FAAH O00519 1/20 0.42
AR P10275 1/20 0.42
XPO1 O14980 1/20 0.41
CDC25B P30305 1/20 0.41
ELANE P08246 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41

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
SCHEMBL4931542 0.87 ALDH1A1 (0.54) MAPTL3MBTL1SLC5A1SLC5A2ALDH1A1
SCHEMBL1432107 0.85 KMT2A (0.50) MAPTALDH1A1SMN1; SMN2CA9LMNA
SCHEMBL1431633 0.85 ALDH1A1 (0.49) MAPTL3MBTL1SLC5A1SLC5A2ALDH1A1
SCHEMBL1432291 0.85 SLC5A1 (0.45) MAPTSLC5A1SLC5A2ALDH1A1SMN1; SMN2
SCHEMBL1431635 0.85 ALOX12 (0.54) MAPTHTTADORA1SLC5A1SLC5A2
SCHEMBL4933169 0.84 SMN1; SMN2 (0.52) MAPTL3MBTL1ADORA1ALDH1A1SMN1; SMN2
SCHEMBL4933802 0.84 KDM4E (0.46) MAPTHTTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL4935386 0.83 ADORA1 (0.49) MAPTADORA1ALDH1A1SMN1; SMN2LMNA
SCHEMBL1432032 0.80 NOTUM (0.45) MAPTHTTALDH1A1CASP3
SCHEMBL4925541 0.80 CNR2 (0.58) MAPTHTTALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200501-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (CH) 2008-08-21 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-20080200501-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION CNR2, CNR1, OPRL1 MAPT 665/4885HTT 465/4885L3MBTL1 4180/4885

“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.