SCHEMBL4344723

SCHEMBL4344723

CN(CCOCCNc1c([N+](=O)[O-])cnc2ccccc12)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40
MAOA P21397 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
ADORA2A P29274 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
DRD3 P35462 1/20 0.40
HTR2B P41595 1/20 0.40
PDE4D Q08499 1/20 0.40
KCNH2 Q12809 1/20 0.40
GBA1 P04062 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL7022780 0.88 CHRM2 (0.46) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL7022776 0.88 CHRM2 (0.46) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL4347228 0.85 GBA1 (0.39) GBA1MEN1KMT2APKMMAPT
SCHEMBL1041725 0.85 BCHE (0.44) ADORA2AGBA1MEN1KMT2APKM
SCHEMBL28656147 0.83 MEN1 (0.39) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL1233750 0.83 CHRM2 (0.46) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL6032830 0.82 GBA1 (0.37) GBA1MEN1KMT2AHPGDALDH1A1
SCHEMBL1232867 0.80 CHRM2 (0.42) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL3168206 0.80 KMT2A (0.45) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL4775413 0.79 KDM4E (0.44) CHRM2CHRM1DRD2ADRA2BADRA2C

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612083-B2 Urea substituted imidazoquinoline ethers COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-11-03 US disclosed
US-20080306252-A1 SULFONAMIDO ETHER SUBSTITUTED IMIDAZOQUINOLINES COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-12-11 US disclosed
US-7214675-B2 Urea substituted imidazoquinoline ethers 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-08 US disclosed
EP-1341790-B1 SULFONAMIDO ETHER SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2007-02-14 EP disclosed
US-7132429-B2 Sulfonamido ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-11-07 US disclosed
US-7115622-B2 Amido ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-10-03 US disclosed
US-7078523-B2 Urea substituted imidazoquinoline ethers 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-07-18 US disclosed
US-7049439-B2 Immunomodulators for inducing cytokine biosynthesis; viricides; antitumor agents 3M INNOVATIVE PROPERTIES CO. (US) 2006-05-23 US disclosed
EP-1343784-B1 UREA SUBSTITUTED IMIDAZOQUINOLINE ETHERS and pharmaceutical compositions comprising the same. 3M INNOVATIVE PROPERTIES CO (US) 2006-03-08 EP disclosed
US-20050234088-A1 Urea substituted imidazoquinoline ethers 3M INNOVATIVE PROPERTIES COMPANY 2005-10-20 US disclosed
EP-1341792-A2 AMIDO ETHER SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2003-09-10 EP disclosed
EP-1341790-A2 SULFONAMIDO ETHER SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2003-09-10 EP disclosed
US-20030158192-A1 Urea substituted imidazoquinoline ethers 3M INNOVATIVE PROPERTIES COMPANY 2003-08-21 US disclosed
US-20030139441-A1 Sulfonamido ether substituted imidazoquinolines UBS AG, STAMFORD BRANCH 2003-07-24 US disclosed
US-20030130518-A1 Urea substituted imidazoquinoline ethers COLEY PHARMACEUTICAL GROUP, INC. 2003-07-10 US disclosed
US-20030096835-A1 Amido ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2003-05-22 US disclosed
US-20020193396-A1 Sulfonamido ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2002-12-19 US disclosed
WO-2002046190-A2 SULFONAMIDO ETHER SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2002-06-13 WO disclosed
WO-2002046191-A2 UREA SUBSTITUTED IMIDAZOQUINOLINE ETHERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2002-06-13 WO disclosed
WO-2002046188-A2 AMIDO ETHER SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2002-06-13 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 (7 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-20080306252-A1 SULFONAMIDO ETHER SUBSTITUTED IMIDAZOQUINOLINES IFNG, IRF3, IL2 CHRM2 4751/4885CHRM1 4741/4885DRD2 4782/4885
US-20030158192-A1 Urea substituted imidazoquinoline ethers IRF3, EIF2AK2, IFNG CHRM2 4081/4885CHRM1 3522/4885DRD2 4729/4885
US-20030139441-A1 Sulfonamido ether substituted imidazoquinolines IFNG, IRF3, IL2 CHRM2 4751/4885CHRM1 4741/4885DRD2 4782/4885
US-20050234088-A1 Urea substituted imidazoquinoline ethers IRF3, EIF2AK2, IFNG CHRM2 4016/4885CHRM1 3549/4885DRD2 4683/4885
US-20030130518-A1 Urea substituted imidazoquinoline ethers IRF3, EIF2AK2, IFNG CHRM2 4081/4885CHRM1 3522/4885DRD2 4729/4885
US-20030096835-A1 Amido ether substituted imidazoquinolines IFNG, IRF3, EIF2AK2 CHRM2 4377/4885CHRM1 3774/4885DRD2 4633/4885
US-20020193396-A1 Sulfonamido ether substituted imidazoquinolines IFNG, IRF3, IL2 CHRM2 4751/4885CHRM1 4741/4885DRD2 4782/4885

“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.