SCHEMBL4260342

SCHEMBL4260342

CN(C)C(=O)Oc1c[c]ccc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.57
ACHE P22303 10/20 0.50
BCHE P06276 6/20 0.50
LMNA P02545 4/20 0.50
GLA P06280 2/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47
GAA P10253 1/20 0.44
NCEH1 Q6PIU2 2/20 0.42

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
SCHEMBL129259 0.79 LMNA (0.48) ACHELMNAMAPK1KMT2ANPSR1
SCHEMBL486200 0.77 RAB9A (0.72) RAB9AACHEBCHELMNAGLA
SCHEMBL8867798 0.77 RAB9A (0.59) RAB9AACHEBCHELMNAGLA
Phenyl Dimethylcarbamate SCHEMBL491227 0.77 RAB9A (0.78) RAB9AACHEBCHELMNAGLA
SCHEMBL6972597 0.76 HSD17B10 (0.40) LMNAKMT2AMEN1ALDH1A1
SCHEMBL9817182 0.75 ELANE (0.49) ACHELMNAKMT2ANPSR1MEN1
SCHEMBL7219935 0.75 ELANE (0.52)
SCHEMBL128694 0.75 ACHE (0.49) RAB9AACHELMNAGLAMAPK1
SCHEMBL5396445 0.75 ACHE (0.43) RAB9AACHEBCHEMAPK1KMT2A
SCHEMBL3597111 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO claimed
US-4692530-A Chemical agents THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1987-09-08 US claimed
US-9309187-B2 EP2 receptor agonists TAKEDA GMBH (DE) 2016-04-12 US disclosed
US-20150080400-A1 Novel EP2 Receptor Agonists TAKEDA GMBH (DE) 2015-03-19 US disclosed
EP-2844638-A1 NOVEL EP2 RECEPTOR AGONISTS Takeda GmbH (DE) 2015-03-11 EP disclosed
WO-2013164326-A1 NOVEL EP2 RECEPTOR AGONISTS TAKEDA GMBH (DE) 2013-11-07 WO disclosed
EP-1565475-B1 DIAZINOPYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-04-08 EP disclosed
US-7164024-B2 Muscarinic acetylcholine receptor antagonist; Parkinson's disease; dystonia; analgesics; irritable bowel syndrome BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-01-16 US disclosed
US-20050261284-A1 Diazinopyrimidines CHEN JIAN J 2005-11-24 US disclosed
US-6943158-B2 Diazinopyrimidines ROCHE PALO ALTO LLC (US) 2005-09-13 US disclosed
EP-1565475-A1 DIAZINOPYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-24 EP disclosed
US-20040147506-A1 Benzimidazolone derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-07-29 US disclosed
WO-2004046152-A1 DIAZINOPYRIMIDINES F. HOFFMANN LA ROCHE AG (CH) 2004-06-03 WO disclosed
US-20040097493-A1 For preparing medicaments useful for the therapy of the p38 MAP kinase and FGFR kinase mediated diseases and conditions HOFFMANN-LA ROCHE INC. 2004-05-20 US disclosed
EP-1386920-A1 BENZIMIDAZOLONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-02-04 EP disclosed
US-5436267-A An O-(N-2-carbamylphenyl)-heterocyclic oxime; insecticides; fungicides; miticides; nematocides; plant growth regulators; herbicides; viricides; attractants ISHIHARA SANGYO KAISHA, LTD. (JP) 1995-07-25 US disclosed
US-4692530-A Chemical agents THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1987-09-08 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 (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-20040147506-A1 Benzimidazolone derivatives HRH2, CCKAR, HRH4 RAB9A 115/4885ACHE 13/4885BCHE 62/4885
US-20050261284-A1 Diazinopyrimidines MAPK6, MAPK1, MAP2K6 RAB9A 3657/4885ACHE 3896/4885BCHE 4688/4885
US-20150080400-A1 Novel EP2 Receptor Agonists PTGER1, PTGER2, PTGER4 RAB9A 2704/4885ACHE 1957/4885BCHE 3874/4885
US-20040097493-A1 For preparing medicaments useful for the therapy of the p38 MAP kinase and FGFR kinase mediated diseases and conditions FGFR1, MAPK1, FGF1 RAB9A 1955/4885ACHE 4868/4885BCHE 4747/4885

“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.