SCHEMBL1895040

SCHEMBL1895040

O=[N+]([O-])c1cnc2ccccc2c1NCCOCCCCl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CHRM3 P20309 1/20 0.41
MAOA P21397 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
ADORA2A P29274 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41
HTR2B P41595 1/20 0.41
PDE4D Q08499 1/20 0.41
KCNH2 Q12809 1/20 0.41
BCHE P06276 6/20 0.39
ACHE P22303 6/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL4324704 0.90 KMT2A (0.43) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL5358407 0.88 CHRM2 (0.48) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL3168206 0.87 KMT2A (0.45) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL4321129 0.87 ADRA1A (0.50) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL5354341 0.87 CHRM2 (0.44) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL5361174 0.86 ADRA1A (0.49) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL4314418 0.86 ADRA1A (0.49) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL22347111 0.84 MAPT (0.44) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL1898134 0.84 CHRM2 (0.39) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL6724381 0.83 LDHA (0.50) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735421-B2 Imidazoquinolinyl sulfonamides 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-05-27 US disclosed
US-7939526-B2 Sulfone substituted imidazo ring ethers 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-05-10 US disclosed
US-20090062272-A1 IMIDAZOQUINOLINYL SULFONAMIDES 3M INNOVATIVE PROPERTIES COMPANY 2009-03-05 US disclosed
US-20070155767-A1 Sulfone substituted imidazo ring ethers 3M INNOVATIVE PROPERTIES COMPANY 2007-07-05 US disclosed
EP-1699788-A2 IMIDAZOQUINOLINYL, IMIDAZOPYRIDINYL AND IMIDAZONAPHTHYRIDINYL SULFONAMIDES 3M Innovative Properties Company (US) 2006-09-13 EP disclosed
EP-1694674-A2 SULFONE SUBSTITUTED IMIDAZO RING ETHERS 3M Innovative Properties Company (US) 2006-08-30 EP disclosed
WO-2005076783-A2 SULFONE SUBSTITUTED IMIDAZO RING ETHERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-08-25 WO disclosed
WO-2005066169-A2 IMIDAZOQUINOLINYL, IMIDAZOPYRIDINYL, AND IMIDAZONAPHTHYRIDINYL SULFONAMIDES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-07-21 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 (2 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-20090062272-A1 IMIDAZOQUINOLINYL SULFONAMIDES IL2, EIF2AK2, IFNG CHRM2 4716/4885CHRM1 4837/4885DRD2 4751/4885
US-20070155767-A1 Sulfone substituted imidazo ring ethers IL2, IL4, IFNG CHRM2 4434/4885CHRM1 4404/4885DRD2 4129/4885

“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.