SCHEMBL13799196

SCHEMBL13799196

CC(C)(C)C(=O)c1ccon1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 2/20 0.39
RAPGEF3 O95398 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.35
RAB9A P51151 2/20 0.34
POLB P06746 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34
GABRG3 Q99928 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
SCHEMBL28273457 0.75 CHRNA4 (0.44) CHRNA4RAPGEF3RAPGEF4RAB9APOLB
SCHEMBL5792027 0.73 GAA (0.36) CHRNA4RAPGEF3RAPGEF4RAB9APOLB
SCHEMBL109365 0.73
SCHEMBL1323514 0.73
Acetone SCHEMBL2954541 0.72 CHRNA4 (0.40) CHRNA4RAPGEF3RAPGEF4RAB9APOLB
Benzene SCHEMBL28148287 0.71 KDM4E (0.46) CHRNA4RAPGEF3RAPGEF4POLBL3MBTL1
SCHEMBL325207 0.71
SCHEMBL11166684 0.71
SCHEMBL826240 0.71
SCHEMBL2122427 0.71

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-11351264-B2 PAR2 mimetic peptides and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2022-06-07 US disclosed
US-20190117785-A1 PAR2 MIMETIC PEPTIDES AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2019-04-25 US disclosed
US-8450301-B2 Piperazine compounds with a herbicidal action BASF SE (DE) 2013-05-28 US disclosed
US-20090156553-A1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2009-06-18 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 (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-20090156553-A1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION DDT, CAT, CIP2A CHRNA4 3488/4885RAPGEF3 841/4885RAPGEF4 1112/4885
US-11351264-B2 PAR2 mimetic peptides and uses thereof F2RL1, F2R, F2RL3 CHRNA4 3899/4885RAPGEF3 824/4885RAPGEF4 1199/4885
US-20190117785-A1 PAR2 MIMETIC PEPTIDES AND USES THEREOF F2RL1, F2R, F2RL3 CHRNA4 3899/4885RAPGEF3 824/4885RAPGEF4 1199/4885

“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.