SCHEMBL1753285

SCHEMBL1753285

COc1ccc(C)cc1-n1cnc2c(=O)n(-c3ccc(Br)cc3)c(-c3ccc(Cl)cc3Cl)nc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.41
CNR2 P34972 6/20 0.41
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RXFP1 Q9HBX9 1/20 0.37
F2RL3 Q96RI0 1/20 0.37
KCNH2 Q12809 1/20 0.36

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
SCHEMBL1688935 0.95 CNR1 (0.42) CNR1CNR2ALDH1A1HPGDBLM
SCHEMBL1689117 0.87 CNR1 (0.46) CNR1CNR2RXFP1F2RL3KCNH2
SCHEMBL1689339 0.85 MAPT (0.46) ALDH1A1HPGDBLMKMT2ACTDSP1
SCHEMBL1753253 0.85 CNR1 (0.44) CNR1CNR2F2RL3KCNH2
SCHEMBL1689075 0.82 RXFP1 (0.42) CNR1CNR2RXFP1KCNH2
SCHEMBL1753293 0.80 POLB (0.46) ALDH1A1HPGDBLMKMT2ACTDSP1
SCHEMBL1753407 0.80 CNR1 (0.44) CNR1CNR2KMT2AF2RL3KCNH2
SCHEMBL1753306 0.79 CNR1 (0.45) CNR1CNR2KMT2AF2RL3KCNH2
SCHEMBL1753330 0.79 TDP2 (0.42) CNR1CNR2RXFP1KCNH2
SCHEMBL1753298 0.79 F2RL3 (0.46) CNR1CNR2KMT2AF2RL3KCNH2

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 11 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
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-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

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 CNR1 1/4885CNR2 2/4885ALDH1A1 2743/4885
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH CNR1 1/4885CNR2 2/4885ALDH1A1 2743/4885

“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.