SCHEMBL3093945

SCHEMBL3093945

CC(C)(C)N(C[C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCO1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 15/20 0.54
CCR3 P51677 1/20 0.51
CCR2 P41597 1/20 0.44
KCNH2 Q12809 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
S1PR5 Q9H228 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL3020210 0.88 DRD4 (0.55) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3686563 0.88 DRD4 (0.55) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4021469 0.80 PKM (0.49) CCR2KCNH2
Oxalic Acid SCHEMBL17891318 0.78 DRD4 (0.60) DRD4CCR3CYP1A2CYP3A4CYP2D6
SCHEMBL4496185 0.77 CCR3 (0.68) DRD4CCR3KCNH2CYP1A2CYP3A4
SCHEMBL3922376 0.77 CCR3 (0.68) DRD4CCR3KCNH2CYP1A2CYP3A4
SCHEMBL4496189 0.77 DRD4 (0.51) DRD4CCR3KCNH2S1PR5KDM4E
SCHEMBL1810573 0.76 CCR3 (0.67) DRD4CCR3CCR2KCNH2CYP1A2
SCHEMBL1810572 0.76 CCR3 (0.67) DRD4CCR3CCR2KCNH2CYP1A2
SCHEMBL30211803 0.76 CCR3 (0.67) DRD4CCR3CCR2KCNH2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256124-A1 Substituted 1-Methyl-1H-Quinolin-2-Ones And 1-Methyl-1H-1,5-Naphthyridin-2-Ones As Antibacterials GLAXO GROUP LIMITED (GB) 2010-10-07 US disclosed
US-7732461-B2 (4S)-4-({4-[(2,3-Dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]-1-piperidinyl}methyl)-3-fluoro-4-hydroxy-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-7-one, used in the treatment of bacterial infections caused by a wide range of organisms including both gramnegative and grampositive bacteria GLAXO GROUP LIMITED (GB) 2010-06-08 US disclosed
US-20090137568-A1 Tryclic Nitrogen Containing Compounds and their Use as Antibacterials GLAXO GROUP LIMITED 2009-05-28 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 (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-20090137568-A1 Tryclic Nitrogen Containing Compounds and their Use as Antibacterials NRDC, NACA, ASNS DRD4 1282/4885CCR3 3580/4885CCR2 2135/4885
US-20100256124-A1 Substituted 1-Methyl-1H-Quinolin-2-Ones And 1-Methyl-1H-1,5-Naphthyridin-2-Ones As Antibacterials TOP1, TOP2A, NDC1 DRD4 624/4885CCR3 4646/4885CCR2 1855/4885

“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.