SCHEMBL3870975

SCHEMBL3870975

O=C(O)c1ccc(Cn2c(N3CCCC3)nc3ccccc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 5/20 0.60
AGTR1 P30556 3/20 0.59
AGTR2 P50052 3/20 0.59
PPARG P37231 1/20 0.56
DRD2 P14416 1/20 0.55
TBXA2R P21731 1/20 0.55
CYP2D6 P10635 6/20 0.54
HRH1 P35367 6/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KCNH2 Q12809 3/20 0.53
CHRM1 P11229 2/20 0.52
PDE6D O43924 1/20 0.52

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
SCHEMBL3864784 0.90 HTR3A (0.57) HTR3ACYP2D6HRH1SMN1; SMN2NPSR1
SCHEMBL3866023 0.86 DRD2 (0.61) HTR3ADRD2TBXA2RCYP2D6HRH1
SCHEMBL7341277 0.86 HTR3A (0.75) HTR3ACYP2D6HRH1KCNH2CHRM1
SCHEMBL8879353 0.85 HTR3A (0.57) HTR3ACYP2D6HRH1KCNH2CHRM1
SCHEMBL8877905 0.84 HTR3A (0.56) HTR3ACYP2D6HRH1KCNH2CHRM1
SCHEMBL20715423 0.83 CYP2D6 (0.66) HTR3ACYP2D6HRH1NPSR1KCNH2
SCHEMBL20715427 0.82 CYP2D6 (0.64) HTR3ACYP2D6HRH1NPSR1KCNH2
SCHEMBL13186945 0.82 CYP1A2 (0.77) AGTR1AGTR2CYP2D6HRH1NPSR1
SCHEMBL7168715 0.81 HTR3A (0.81) HTR3ACYP2D6HRH1KCNH2CHRM1
SCHEMBL28989060 0.79 AGTR1 (0.67) AGTR1AGTR2PPARGDRD2TBXA2R

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-20090023722-A1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2009-01-22 US disclosed
US-7393859-B2 Amide substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-07-01 US disclosed
EP-1187613-B9 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-10-25 EP disclosed
EP-1187613-B1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-08-09 EP disclosed
US-20040229897-A1 Amide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-11-18 US disclosed
US-6756382-B2 SECONDARY AMIDES SUCH AS N-(4-(4-AMINO-2-(2-METHOXYETHYL)-1H-IMIDAZO(4,5-C)QUINOLIN-1-YL)BUTYL)-1 -METHYL-5-OXO-2-PYRIDIN-3-YLPYRROLIDINE-3-CARBOXAMIDE; BIOSYNTHESIS OF CYTOKINES; PROPYLAXIS OF VIRAL DISEASES; IMMUNOLOGY MODULATORS 3M INNOVATIVE PROPERTIES COMPANY 2004-06-29 US disclosed
US-20030144283-A1 Amide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2003-07-31 US disclosed
US-6451810-B1 AID IN CYTOKINE BIOSYNTHESIS 3M INNOVATIVE PROPERTIES COMPANY 2002-09-17 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 (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-20040229897-A1 Amide substituted imidazoquinolines IFNG, IRF3, EIF2AK2 HTR3A 4679/4885AGTR1 526/4885AGTR2 773/4885
US-20090023722-A1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES IFNG, IRF3, EIF2AK2 HTR3A 4679/4885AGTR1 526/4885AGTR2 773/4885
US-20030144283-A1 Amide substituted imidazoquinolines IFNG, IRF3, EIF2AK2 HTR3A 4679/4885AGTR1 526/4885AGTR2 773/4885

“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.