SCHEMBL787690

SCHEMBL787690

CC1=CC(=O)N(C(=O)c2ccccc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 3/20 0.43
PDE5A O76074 1/20 0.43
BCHE P06276 3/20 0.42
ACHE P22303 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 4/20 0.41
TYMP P19971 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
JUN P05412 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
GSK3A P49840 1/20 0.40

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
SCHEMBL14541192 0.79 RGS4 (0.45) P2RX4BCHEACHEUSP2KMT2A
SCHEMBL6741780 0.77 HPGD (0.46) P2RX4PDE5ABCHEACHENPSR1
SCHEMBL536842 0.75 PDE5A (0.40) P2RX4PDE5ABCHEACHENPSR1
SCHEMBL11257093 0.73 MAPK13 (0.42) P2RX4BCHEACHENPSR1MAPK1
SCHEMBL1321593 0.72 P2RX4 (0.57) P2RX4PDE5ABCHEACHENPSR1
SCHEMBL9686147 0.71 P2RX4 (0.55) P2RX4BCHEACHETSHRKMT2A
SCHEMBL31047662 0.71 P2RX4 (0.55) P2RX4BCHEACHETSHRKMT2A
SCHEMBL18485382 0.68 CA9 (0.54) P2RX4PDE5ABCHEACHENPSR1
SCHEMBL31047667 0.68 CA9 (0.54) P2RX4PDE5ABCHEACHENPSR1
SCHEMBL29025676 0.68 P2RX4 (0.55) P2RX4BCHEACHETSHRKMT2A

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-20120071664-A1 BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME NDSU RESEARCH FOUNDATION (US) 2012-03-22 US disclosed
US-8034974-B2 Beta-amino acids and methods intermediates for making same NDSU RESEARCH FOUNDATION (US) 2011-10-11 US disclosed
US-20110218342-A1 BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME NORTH DAKOTA STATE UNIVERSITY 2011-09-08 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-20120071664-A1 BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME BCAT1, BCAT2, DAO P2RX4 2530/4885PDE5A 4132/4885BCHE 811/4885
US-20110218342-A1 BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME BCAT1, BCAT2, DAO P2RX4 2530/4885PDE5A 4132/4885BCHE 811/4885

“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.