SCHEMBL7753136

SCHEMBL7753136

CN(C)C(=O)n1nnn(-c2ccccc2Cl)c1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.44
BCHE P06276 1/20 0.38
ALDH1A1 P00352 2/20 0.38
PDE4B Q07343 1/20 0.38
DAGLA Q9Y4D2 2/20 0.37
HSD11B1 P28845 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
MGLL Q99685 3/20 0.36
TGM2 P21980 1/20 0.35
MAPK11 Q15759 2/20 0.35
MAPK14 Q16539 2/20 0.35
FAAH O00519 1/20 0.35
RIPK1 Q13546 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
OPRM1 P35372 1/20 0.34
ALB P02768 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
SCHEMBL7753134 1.00 P2RX4 (0.44) P2RX4BCHEALDH1A1PDE4BDAGLA
SCHEMBL12114585 0.87 POLB (0.43) ALDH1A1PDE4BHSD11B1CNR1
SCHEMBL12115975 0.87 PDE4B (0.40) P2RX4ALDH1A1PDE4BHSD11B1MAPK14
SCHEMBL12115988 0.86 P2RX4 (0.48) P2RX4BCHEALDH1A1PDE4BHSD11B1
SCHEMBL8464658 0.85 P2RX4 (0.48) P2RX4BCHEALDH1A1PDE4BHSD11B1
SCHEMBL8464656 0.85 P2RX4 (0.48) P2RX4BCHEALDH1A1PDE4BHSD11B1
SCHEMBL12115979 0.84 P2RX4 (0.40) P2RX4BCHEALDH1A1PDE4BHSD11B1
SCHEMBL12115401 0.83 NPC1 (0.43) HSD11B1CNR1
SCHEMBL8467359 0.83 P2RX4 (0.50) P2RX4BCHEALDH1A1PDE4BHSD11B1
SCHEMBL12114598 0.83 ALDH1A1 (0.43) P2RX4ALDH1A1PDE4BHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170119734-A1 TETRAZOLONES AS INHIBITORS OF FATTY ACID SYNTHASE INFINITY PHARMACEUTICALS, INC. 2017-05-04 US disclosed
US-9346769-B2 Tetrazolones as inhibitors of fatty acid synthase INFINITY PHARMACEUTICALS, INC. (US) 2016-05-24 US disclosed
US-20140079667-A1 TETRAZOLONES AS INHIBITORS OF FATTY ACID SYNTHASE INFINITY PHARMACEUTICALS, INC. (US) 2014-03-20 US disclosed
US-8546432-B2 Tetrazolones as inhibitors of fatty acid synthase INFINITY PHARMACEUTICALS, INC. (US) 2013-10-01 US disclosed
US-20110274655-A1 TETRAZOLONES AS INHIBITORS OF FATTY ACID SYNTHASE Infinity Pharmaceuticals (US) 2011-11-10 US disclosed
WO-2001039595-A2 METHOD FOR INCREASING THE YIELD OF CROPS NIHON BAYER AGROCHEM K.K. (DE) 2001-06-07 WO 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 (3 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-20110274655-A1 TETRAZOLONES AS INHIBITORS OF FATTY ACID SYNTHASE FASN, ACSL1, HSD17B12 P2RX4 4589/4885BCHE 3011/4885ALDH1A1 213/4885
US-20170119734-A1 TETRAZOLONES AS INHIBITORS OF FATTY ACID SYNTHASE FASN, ACSL1, HSD17B12 P2RX4 4590/4885BCHE 2942/4885ALDH1A1 220/4885
US-20140079667-A1 TETRAZOLONES AS INHIBITORS OF FATTY ACID SYNTHASE FASN, ACSL1, HSD17B12 P2RX4 4589/4885BCHE 3011/4885ALDH1A1 213/4885

“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.