SCHEMBL1753170

SCHEMBL1753170

CCOC(=O)c1onc(-c2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.48
CACNA1D Q01668 1/20 0.48
CACNA1S Q13698 1/20 0.48
CACNA1C Q13936 1/20 0.48
ALDH1A1 P00352 5/20 0.45
ADORA3 P0DMS8 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GABRA5 P31644 1/20 0.44
MAPK1 P28482 3/20 0.44
POLB P06746 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
ATM Q13315 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TARBP2 Q15633 1/20 0.43
PTGS1 P23219 1/20 0.43

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
SCHEMBL105960 0.88 CACNA1F (0.50) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL1244895 0.86 PTGS2 (0.46) ALDH1A1MAPTPTGS2
SCHEMBL3608887 0.86 PTGS1 (0.53) ALDH1A1GABRA5MAPK1POLBMAPT
SCHEMBL13316478 0.81 ABCB1 (0.46) ALDH1A1MEN1KMT2AGABRA5MAPK1
SCHEMBL2778520 0.81 ADORA3 (0.55) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL13214659 0.81 LMNA (0.43) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL27778831 0.81 ABCB1 (0.48) ALDH1A1MEN1KMT2AMAPK1MAPT
SCHEMBL1753233 0.80 TARBP2 (0.46) ALDH1A1KMT2AMAPK1POLBMAPT
SCHEMBL1753055 0.79 CACNA1F (0.55) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL2776180 0.77 GABRA5 (0.54) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2012-09-06 US disclosed
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2012-09-06 US disclosed
US-8158634-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2012-04-17 US disclosed
US-8158634-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2012-04-17 US disclosed
US-8158634-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2012-04-17 US disclosed
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 US disclosed
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 US disclosed
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 US disclosed
EP-1807429-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM, LLC (BM) 2007-07-18 EP disclosed
WO-2006047516-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2006-05-04 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-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH CACNA1F 628/4885CACNA1D 402/4885CACNA1S 590/4885
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH CACNA1F 628/4885CACNA1D 402/4885CACNA1S 590/4885

“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.