SCHEMBL3866014

SCHEMBL3866014

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

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.57
TBXA2R P21731 7/20 0.57
TAAR1 Q96RJ0 2/20 0.54
MAPT P10636 2/20 0.51
TP53 P04637 1/20 0.49
LMNA P02545 1/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.48
CHRM1 P11229 1/20 0.48
HRH1 P35367 1/20 0.48
CFTR P13569 1/20 0.47

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 0.87 TAAR1 (0.55) TAAR1TP53CHRM1HRH1
SCHEMBL3870973 0.87 TAAR1 (0.55) DRD2TBXA2RTAAR1TP53CHRM1
SCHEMBL28901296 0.82 TAAR1 (0.65) TAAR1LMNACHRM1HRH1
SCHEMBL28901292 0.82 TAAR1 (0.65) TAAR1LMNACHRM1HRH1
SCHEMBL29597271 0.82 TAAR1 (0.65) TAAR1LMNACHRM1HRH1
SCHEMBL23997462 0.78 DRD2 (0.75) DRD2TBXA2RMAPTTP53LMNA
SCHEMBL3668391 0.78 HDAC1 (0.73) DRD2TBXA2RMAPTTP53PTGDR2
SCHEMBL30336823 0.78 DRD2 (0.75) DRD2TBXA2RMAPTTP53LMNA
SCHEMBL3866023 0.77 DRD2 (0.61) DRD2TBXA2RMAPTTP53CHRM1
SCHEMBL13187311 0.76 DRD2 (0.69) DRD2TBXA2RMAPTLMNAHRH1

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 DRD2 4682/4885TBXA2R 1872/4885TAAR1 2764/4885
US-20090023722-A1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES IFNG, IRF3, EIF2AK2 DRD2 4682/4885TBXA2R 1872/4885TAAR1 2764/4885
US-20030144283-A1 Amide substituted imidazoquinolines IFNG, IRF3, EIF2AK2 DRD2 4682/4885TBXA2R 1872/4885TAAR1 2764/4885

“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.