SCHEMBL3870973

SCHEMBL3870973

O=C(O)c1ccc(Cn2c(C3CCCN3)nc3ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.55
AGTR1 P30556 3/20 0.55
AGTR2 P50052 3/20 0.55
PPARG P37231 1/20 0.52
HRH1 P35367 2/20 0.51
CHRM1 P11229 1/20 0.51
DRD2 P14416 1/20 0.51
TBXA2R P21731 1/20 0.51
KCNH2 Q12809 1/20 0.48
PTAFR P25105 1/20 0.48
TP53 P04637 1/20 0.48
HRH3 Q9Y5N1 3/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL3864781 0.91 TAAR1 (0.55) TAAR1AGTR1AGTR2HRH1CHRM1
SCHEMBL29597271 0.88 TAAR1 (0.65) TAAR1HRH1CHRM1KCNH2
SCHEMBL28901296 0.88 TAAR1 (0.65) TAAR1HRH1CHRM1KCNH2
SCHEMBL28901292 0.88 TAAR1 (0.65) TAAR1HRH1CHRM1KCNH2
SCHEMBL3866014 0.87 DRD2 (0.57) TAAR1HRH1CHRM1DRD2TBXA2R
SCHEMBL6242822 0.84 USP2 (0.60) AGTR1AGTR2PPARGHRH1CHRM1
SCHEMBL6243182 0.83 AGTR1 (0.61) AGTR1AGTR2PPARGHRH1CHRM1
SCHEMBL28989060 0.76 AGTR1 (0.67) AGTR1AGTR2PPARGDRD2TBXA2R
SCHEMBL15244750 0.75 TAAR1 (0.48) TAAR1HRH1CHRM1TP53
SCHEMBL1331422 0.74 HDAC1 (0.74) 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 TAAR1 2764/4885AGTR1 526/4885AGTR2 773/4885
US-20090023722-A1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES IFNG, IRF3, EIF2AK2 TAAR1 2764/4885AGTR1 526/4885AGTR2 773/4885
US-20030144283-A1 Amide substituted imidazoquinolines IFNG, IRF3, EIF2AK2 TAAR1 2764/4885AGTR1 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.