SCHEMBL3588925

SCHEMBL3588925

COc1cccc(C2CNC(=O)N2c2cnc(Oc3ccc(Cl)cc3)cn2)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 3/20 0.36
IDH1 O75874 2/20 0.35
NPBWR1 P48145 1/20 0.35
MCHR1 Q99705 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
HSD17B10 Q99714 1/20 0.35
ROCK2 O75116 2/20 0.35
HSD11B1 P28845 1/20 0.34
GRM7 Q14831 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ADRA1A P35348 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 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
SCHEMBL3588919 1.00 GAA (0.37) GAAMAPK1MAPTALDH1A1IDH1
SCHEMBL14161912 0.90 MAPT (0.37) GAAMAPK1MAPTALDH1A1KMT2A
SCHEMBL3595447 0.85 HDAC6 (0.40) MAPTALDH1A1NPBWR1MCHR1KMT2A
SCHEMBL3595443 0.85 HDAC6 (0.40) MAPTALDH1A1NPBWR1MCHR1KMT2A
SCHEMBL13185940 0.85 HDAC6 (0.34)
SCHEMBL3589622 0.85 HCRTR1 (0.37) GAAMAPK1MAPTALDH1A1NPBWR1
SCHEMBL3589626 0.85 HCRTR1 (0.37) GAAMAPK1MAPTALDH1A1NPBWR1
SCHEMBL3588824 0.82 HSD11B1 (0.46) MAPTALDH1A1KMT2AMEN1HSD11B1
SCHEMBL3588830 0.82 HSD11B1 (0.46) MAPTALDH1A1KMT2AMEN1HSD11B1
SCHEMBL3590727 0.78 KCNH2 (0.36) GAAMAPK1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US claimed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US claimed
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US disclosed
US-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 US disclosed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 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-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH GAA 1836/4885MAPK1 555/4885MAPT 1780/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH GAA 1836/4885MAPK1 555/4885MAPT 1780/4885

“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.