SCHEMBL3864784

SCHEMBL3864784

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

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 5/20 0.57
CYP2D6 P10635 8/20 0.54
HRH1 P35367 8/20 0.54
KCNH2 Q12809 5/20 0.53
CHRM1 P11229 2/20 0.52
NPSR1 Q6W5P4 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SOS1 Q07889 1/20 0.50
PDE6D O43924 2/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL3870975 0.90 HTR3A (0.60) HTR3ACYP2D6HRH1KCNH2CHRM1
SCHEMBL3866023 0.86 DRD2 (0.61) HTR3ACYP2D6HRH1KCNH2CHRM1
SCHEMBL20715423 0.83 CYP2D6 (0.66) HTR3ACYP2D6HRH1KCNH2CHRM1
SCHEMBL7341277 0.83 HTR3A (0.75) HTR3ACYP2D6HRH1KCNH2CHRM1
SCHEMBL20715427 0.82 CYP2D6 (0.64) HTR3ACYP2D6HRH1KCNH2CHRM1
SCHEMBL7168715 0.79 HTR3A (0.81) HTR3ACYP2D6HRH1KCNH2CHRM1
SCHEMBL15474498 0.77 PDE6D (0.66) HTR3ACYP2D6HRH1KCNH2CHRM1
SCHEMBL8879353 0.77 HTR3A (0.57) HTR3ACYP2D6HRH1KCNH2CHRM1
SCHEMBL9023706 0.76 HTR3A (0.85) HTR3ASOS1
SCHEMBL18292404 0.76 HRH1 (0.65) HTR3ACYP2D6HRH1KCNH2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1353609-B Amide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO 2011-07-13 CN disclosed
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
EP-1187613-A4 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2002-07-24 EP disclosed
CN-1353609-A Amide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO (US) 2002-06-12 CN disclosed
EP-1187613-A1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2002-03-20 EP disclosed
WO-2000076505-A1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-12-21 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 (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 4679/4885CYP2D6 2536/4885HRH1 104/4885
US-20090023722-A1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES IFNG, IRF3, EIF2AK2 HTR3A 4679/4885CYP2D6 2536/4885HRH1 104/4885
US-20030144283-A1 Amide substituted imidazoquinolines IFNG, IRF3, EIF2AK2 HTR3A 4679/4885CYP2D6 2536/4885HRH1 104/4885

“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.