SCHEMBL1753585

SCHEMBL1753585

COCc1ccc(-c2nc3c(ncn3-c3ccccc3)c(=O)n2-c2ccc(Br)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
DHFR P00374 1/20 0.41
ALDH1A1 P00352 7/20 0.39
POLB P06746 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
RXFP1 Q9HBX9 2/20 0.38
NPSR1 Q6W5P4 2/20 0.37
GRM1 Q13255 1/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
XDH P47989 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL1688933 0.90 ALDH1A1 (0.43) MAPTALDH1A1POLBMAOAMAOB
SCHEMBL1753255 0.89 MAPT (0.49) MAPTDHFRALDH1A1POLBRXFP1
SCHEMBL1753449 0.87 MAPT (0.48) MAPTDHFRALDH1A1POLBRXFP1
SCHEMBL1689064 0.87 ALDH1A1 (0.54) MAPTDHFRALDH1A1NPSR1GRM1
SCHEMBL1689034 0.87 MAPT (0.61) MAPTDHFRALDH1A1RXFP1NPSR1
SCHEMBL1689130 0.84 MAPT (0.49) MAPTDHFRALDH1A1RXFP1GRM1
SCHEMBL1689079 0.84 MAPT (0.49) MAPTDHFRALDH1A1RXFP1GRM1
SCHEMBL1689049 0.83 ALDH1A1 (0.52) MAPTDHFRALDH1A1POLBRXFP1
SCHEMBL1753288 0.83 MAPT (0.48) MAPTDHFRALDH1A1POLBRXFP1
SCHEMBL1688923 0.81 MAPT (0.52) MAPTDHFRALDH1A1POLBRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH MAPT 1780/4885DHFR 2867/4885ALDH1A1 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.