SCHEMBL1753330

SCHEMBL1753330

N#Cc1ccc(-n2cnc3c(=O)n(-c4ccc(Br)cc4)c(-c4ccc(Cl)cc4Cl)nc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 5/20 0.42
CNR1 P21554 5/20 0.40
CNR2 P34972 2/20 0.40
RXFP1 Q9HBX9 1/20 0.38
CYP3A4 P08684 1/20 0.38
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
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
SCHEMBL1689328 0.91 TDP2 (0.42) TDP2CNR1CNR2RXFP1
SCHEMBL1689117 0.89 CNR1 (0.46) CNR1CNR2RXFP1KCNH2
SCHEMBL1689075 0.89 RXFP1 (0.42) CNR1CNR2RXFP1KCNH2
SCHEMBL1688959 0.85 TDP2 (0.46) TDP2CNR1CNR2KCNH2
SCHEMBL1689114 0.82 CNR1 (0.45) TDP2CNR1CNR2KCNH2
SCHEMBL1753258 0.80 RXFP1 (0.39) CNR1CNR2RXFP1KCNH2
SCHEMBL1753305 0.80 CNR1 (0.45) CNR1CNR2KCNH2
SCHEMBL1753298 0.79 F2RL3 (0.46) CNR1CNR2KCNH2
SCHEMBL1753620 0.79 RXFP1 (0.38) CNR1CNR2RXFP1
SCHEMBL1753263 0.79 CNR1 (0.45) CNR1CNR2KCNH2

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 TDP2 4520/4885CNR1 1/4885CNR2 2/4885
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH TDP2 4520/4885CNR1 1/4885CNR2 2/4885

“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.