SCHEMBL1753382

SCHEMBL1753382

CC(C)(C)n1ncc2c(=O)n(-c3ccc(Br)cc3)c(-c3ccccc3F)nc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.51
MAPT P10636 3/20 0.50
GRM1 Q13255 3/20 0.49
KDM4E B2RXH2 1/20 0.47
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
TSHR P16473 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 2/20 0.40
MAPK1 P28482 1/20 0.40
DPP4 P27487 1/20 0.39
HPGD P15428 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PDE1C Q14123 2/20 0.39
ALDH1A1 P00352 3/20 0.39
ALDH1A2 O94788 2/20 0.39
ALDH1A3 P47895 2/20 0.39

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
SCHEMBL1753228 0.88 TP53 (0.53) TP53MAPTGRM1KDM4EALDH1A1
SCHEMBL1753239 0.83 GRM1 (0.69) TP53MAPTGRM1KDM4ETSHR
SCHEMBL1753563 0.82 TP53 (0.58) TP53MAPTGRM1KDM4ETSHR
SCHEMBL1753235 0.81 TP53 (0.62) TP53MAPTGRM1KDM4ETSHR
SCHEMBL1689199 0.80 TP53 (0.67) TP53MAPTGRM1KDM4ETSHR
SCHEMBL1753165 0.80 TP53 (0.72) TP53MAPTGRM1KDM4ETSHR
SCHEMBL1753264 0.80 TP53 (0.47) TP53MAPTGRM1KDM4ESMN1; SMN2
SCHEMBL16302120 0.79 TP53 (0.58) TP53MAPTGRM1KDM4ETSHR
SCHEMBL1753158 0.79 GRM1 (0.54) TP53MAPTGRM1KDM4EPDE1C
SCHEMBL2117398 0.79 TP53 (0.53) TP53MAPTGRM1KDM4ETSHR

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 12 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-8158634-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2012-04-17 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 TP53 4640/4885MAPT 1780/4885GRM1 69/4885
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH TP53 4640/4885MAPT 1780/4885GRM1 69/4885

“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.