SCHEMBL894957

SCHEMBL894957

c1ccc2oc(C3CCCN3)cc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.64
CHRNA4 P43681 2/20 0.64
BCHE P06276 1/20 0.59
ACHE P22303 1/20 0.59
CHRM5 P08912 7/20 0.51
CHRM3 P20309 7/20 0.51
CHRM2 P08172 7/20 0.51
CHRM1 P11229 6/20 0.51
CHRM4 P08173 6/20 0.51
CYP2D6 P10635 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KCNH2 Q12809 1/20 0.50
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
CYP1A2 P05177 1/20 0.45
MAOB P27338 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL10901759 0.95 CHRNB2 (0.58) CHRNB2CHRNA4BCHEACHECHRM5
SCHEMBL3008510 0.81 BCHE (0.56) CHRNB2CHRNA4BCHEACHECHRM5
SCHEMBL7852831 0.80 CHRNB2 (0.57) CHRNB2CHRNA4BCHEACHECHRM5
SCHEMBL7851763 0.80 CHRNB2 (0.57) CHRNB2CHRNA4BCHEACHECHRM5
Hydrochloric Acid SCHEMBL7841054 0.79 CHRNB2 (0.56) CHRNB2CHRNA4BCHEACHECHRM5
Hydrochloric Acid SCHEMBL7853849 0.79 CHRNB2 (0.56) CHRNB2CHRNA4BCHEACHECHRM5
SCHEMBL7851250 0.78 CHRNB2 (1.00) CHRNB2CHRNA4CHRM5CHRM3CHRM2
SCHEMBL7842456 0.78 CHRNB2 (1.00) CHRNB2CHRNA4CHRM5CHRM3CHRM2
SCHEMBL10902479 0.78 ACHE (0.69) CHRNB2CHRNA4BCHEACHECHRM5
SCHEMBL7851605 0.77 CHRNB2 (0.64) CHRNB2CHRNA4CHRM5CHRM3CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560978-B1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS INC (US) 2019-01-30 EP disclosed
US-20180251479-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2018-09-06 US disclosed
US-9994594-B2 Inhibitors of arginase and their therapeutic applications MARS, INCORPORATED (US) 2018-06-12 US disclosed
US-20170183362-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2017-06-29 US disclosed
US-9040703-B2 Inhibitors of arginase and their therapeutic applications MARS, INCORPORATED (US) 2015-05-26 US disclosed
US-20140371175-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2014-12-18 US disclosed
EP-2560978-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS Mars, Incorporated (US) 2013-02-27 EP disclosed
US-20120083469-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2012-04-05 US disclosed
WO-2011133653-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED (US) 2011-10-27 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 (4 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-20180251479-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 CHRNB2 2416/4885CHRNA4 2779/4885BCHE 314/4885
US-20170183362-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 CHRNB2 2416/4885CHRNA4 2779/4885BCHE 314/4885
US-20120083469-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 CHRNB2 2416/4885CHRNA4 2779/4885BCHE 314/4885
US-20140371175-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 CHRNB2 2416/4885CHRNA4 2779/4885BCHE 314/4885

“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.