SCHEMBL5006624

SCHEMBL5006624

CN(C(=O)OCCl)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.58
CHRNB4 P30926 2/20 0.58
CHRNA3 P32297 2/20 0.58
CHRNA4 P43681 2/20 0.58
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 3/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
EGFR P00533 1/20 0.46
ERBB2 P04626 1/20 0.46
POLB P06746 2/20 0.46
HTT P42858 1/20 0.44
LIPE Q05469 1/20 0.43

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
Benzene SCHEMBL1720409 0.83 CHRNB2 (0.59) CHRNB2CHRNB4CHRNA3CHRNA4RAB9A
SCHEMBL442790 0.83 CHRNB2 (0.59) CHRNB2CHRNB4CHRNA3CHRNA4RAB9A
SCHEMBL11349063 0.83 CHRNB2 (0.60) CHRNB2CHRNB4CHRNA3CHRNA4RAB9A
SCHEMBL515011 0.81 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA4RAB9A
SCHEMBL28740847 0.81 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA4RAB9A
SCHEMBL28080593 0.80 CHRNB2 (0.65) CHRNB2CHRNB4CHRNA3CHRNA4RAB9A
SCHEMBL27766401 0.80 CHRNB2 (0.65) CHRNB2CHRNB4CHRNA3CHRNA4RAB9A
SCHEMBL27558112 0.80 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4RAB9A
SCHEMBL11176275 0.79 CHRNB2 (0.63) CHRNB2CHRNB4CHRNA3CHRNA4RAB9A
SCHEMBL18127760 0.79 CHRNB2 (0.55) CHRNB2CHRNB4CHRNA3CHRNA4RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459561-B2 N-substituted carbamoyloxyalkyl-azolium derivatives BASILEA PHARMACEUTICA AG (CH) 2008-12-02 US disclosed
US-7189858-B2 N-phenyl substituted carbamoyloxyalkyl-azolium derivatives BASILEA PHARMACEUTICA AG (CH) 2007-03-13 US disclosed
US-20070027322-A1 N-substituted carbamoyloxyalkyl-azolium derivatives BASILEA PHARMACEUTICA INTERNATIONAL LTD. (CH) 2007-02-01 US disclosed
US-7151182-B2 Intermediates for N-substituted carbamoyloxyalkyl-azolium derivatives BASILEA PHARMACEUTICA AG (CH) 2006-12-19 US disclosed
EP-1280795-B1 N-SUBSTITUTED CARBAMOYLOXYALKYL-AZOLIUM DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2005-03-23 EP disclosed
US-20050038075-A1 Intermediates for N-substituted carbamoyloxyalkyl-azolium derivatives BASILEA PHARMACEUTICA INTERNATIONAL LTD. (CH) 2005-02-17 US disclosed
US-20050038038-A1 N-phenyl substituted carbamoyloxyalkyl-azolium derivatives BASILEA PHARMACEUTICA INTERNATIONAL LTD. (CH) 2005-02-17 US disclosed
US-6812238-B1 WATER SOLUBLE FUNGICIDES FOR SYSTEMIC MYCOSES; ORAL AND PARENTERAL ADMINISTRATION BASILEA PHARMACEUTICA AG (CH) 2004-11-02 US disclosed
EP-1280795-A2 N-SUBSTITUTED CARBAMOYLOXYALKYL-AZOLIUM DERIVATIVES Basilea Pharmaceutica AG (CH) 2003-02-05 EP disclosed
WO-2001032652-A2 N-SUBSTITUTED CARBAMOYLOXYALKYL-AZOLIUM DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2001-05-10 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-20070027322-A1 N-substituted carbamoyloxyalkyl-azolium derivatives ERG28, CYP51A1, NAALAD2 CHRNB2 4850/4885CHRNB4 4824/4885CHRNA3 4807/4885
US-20050038038-A1 N-phenyl substituted carbamoyloxyalkyl-azolium derivatives ERG28, CYP51A1, NAALAD2 CHRNB2 4857/4885CHRNB4 4830/4885CHRNA3 4831/4885
US-20050038075-A1 Intermediates for N-substituted carbamoyloxyalkyl-azolium derivatives ERG28, CYP51A1, CPS1 CHRNB2 4841/4885CHRNB4 4849/4885CHRNA3 4845/4885

“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.