SCHEMBL1688995

SCHEMBL1688995

Cn1nc2c(=O)n(-c3ccc(Cl)cc3)c(-c3ccc(-c4ccccn4)cc3)nc2c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 1/20 0.40
HSP90AA1 P07900 1/20 0.40
ALDH1A1 P00352 7/20 0.39
GRM5 P41594 1/20 0.38
PTGS2 P35354 1/20 0.38
PDE5A O76074 1/20 0.38
CASP7 P55210 4/20 0.38
USP2 O75604 3/20 0.38
CYP1A2 P05177 3/20 0.38
CASP1 P29466 3/20 0.38
HSD17B10 Q99714 3/20 0.38
LMNA P02545 3/20 0.38
GLA P06280 2/20 0.38
HIF1A Q16665 2/20 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
SCHEMBL1753568 0.86 MAPT (0.39) TP53NR1H2NR1H3MAPTKMT2A
SCHEMBL1689023 0.85 DHFR (0.47) TP53NR1H2NR1H3MAPTKMT2A
SCHEMBL1753599 0.77 XDH (0.42) TP53MAPTKMT2AMEN1GAA
SCHEMBL1689222 0.77 MAPT (0.53) TP53MAPTKMT2AMEN1GAA
SCHEMBL1689089 0.72 MAPT (0.67) TP53MAPTKMT2AALDH1A1GRM5
SCHEMBL1689039 0.71 MAPT (0.45) TP53NR1H2NR1H3MAPTKMT2A
SCHEMBL1689035 0.71 DHFR (0.45) TP53NR1H2NR1H3MAPTKMT2A
SCHEMBL1753348 0.71 MAPT (0.40) TP53MAPTKMT2AMEN1GAA
SCHEMBL27519517 0.69 PDE2A (0.46) TP53NR1H2NR1H3MAPTKMT2A
SCHEMBL1689176 0.69 MAPT (0.44) TP53MAPTKMT2AMEN1GAA

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 13 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 claimed
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 US claimed
EP-1807429-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM, LLC (BM) 2007-07-18 EP claimed
WO-2006047516-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2006-05-04 WO claimed
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-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-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 TP53 4640/4885NR1H2 61/4885NR1H3 112/4885
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH TP53 4640/4885NR1H2 61/4885NR1H3 112/4885

“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.