SCHEMBL1753452

SCHEMBL1753452

[C-]#[N+]c1cccc(-n2cnc3c(=O)n(-c4ccc(Br)cc4)c(-c4ccc(C)cc4)nc32)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
ALDH1A1 P00352 6/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
RXFP1 Q9HBX9 2/20 0.39
XDH P47989 2/20 0.38
TP53 P04637 3/20 0.38
MCHR1 Q99705 2/20 0.37
NPSR1 Q6W5P4 2/20 0.36
DHFR P00374 2/20 0.36
THRB P10828 1/20 0.35
GRM1 Q13255 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL1689034 0.85 MAPT (0.61) MAPTALDH1A1LMNAGAARXFP1
SCHEMBL1754753 0.83 MAPT (0.48) MAPTALDH1A1LMNAGAARXFP1
SCHEMBL1753258 0.82 RXFP1 (0.39) RXFP1XDHMCHR1
SCHEMBL1688923 0.79 MAPT (0.52) MAPTALDH1A1GAARXFP1XDH
SCHEMBL4169089 0.77 XDH (0.44) MAPTRXFP1XDHTP53MCHR1
SCHEMBL4172941 0.77 MCHR1 (0.42) MAPTRXFP1XDHTP53MCHR1
SCHEMBL4173644 0.76 GRM1 (0.41) MAPTXDHMCHR1GRM1
SCHEMBL1689079 0.76 MAPT (0.49) MAPTALDH1A1LMNARXFP1XDH
SCHEMBL1689130 0.76 MAPT (0.49) MAPTALDH1A1LMNARXFP1XDH
SCHEMBL1753449 0.76 MAPT (0.48) MAPTALDH1A1GAARXFP1XDH

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 3 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 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

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 MAPT 1780/4885ALDH1A1 2743/4885LMNA 2549/4885
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH MAPT 1780/4885ALDH1A1 2743/4885LMNA 2549/4885

“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.