SCHEMBL2198557

SCHEMBL2198557

CC(C)(N)CCN1CCN(c2ccc(F)cc2)C1=O

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.59
DRD3 P35462 10/20 0.59
RAB9A P51151 1/20 0.57
PKM P14618 1/20 0.47
KCNH2 Q12809 4/20 0.47
HDAC1 Q13547 2/20 0.45
DPP4 P27487 1/20 0.40
PER2 O15055 1/20 0.39
S1PR1 P21453 1/20 0.39
SCD O00767 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL2199631 0.92 DRD2 (0.51) DRD2DRD3RAB9APKMKCNH2
SCHEMBL4919307 0.86 DRD2 (0.46) DRD2DRD3RAB9AKCNH2HDAC1
SCHEMBL2199747 0.84 HDAC1 (0.49) DRD2DRD3RAB9APKMKCNH2
SCHEMBL4907493 0.80 DRD2 (0.52) DRD2DRD3RAB9APKMKCNH2
SCHEMBL2200838 0.78 DRD2 (0.50) DRD2DRD3RAB9APKMKCNH2
SCHEMBL6221920 0.78 RAB9A (0.69) DRD2DRD3RAB9APKMKCNH2
SCHEMBL18937416 0.77 RAB9A (0.69) DRD2DRD3RAB9APKMKCNH2
SCHEMBL27716316 0.77 DRD2 (0.62) DRD2DRD3RAB9APKMKCNH2
SCHEMBL12427164 0.76 DRD2 (0.48) DRD2DRD3RAB9APKMKCNH2
SCHEMBL6922758 0.74 RAB9A (0.64) DRD2DRD3RAB9APKMKCNH2

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-7977334-B2 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity modulator, insulin resistance BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-12 US disclosed
US-7977334-B2 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity modulator, insulin resistance BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-12 US disclosed
US-7977334-B2 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity modulator, insulin resistance BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-12 US disclosed
US-20080234278-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions TRIESELMANN THOMAS 2008-09-25 US disclosed
US-20080234278-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions TRIESELMANN THOMAS 2008-09-25 US disclosed
US-20080234278-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions TRIESELMANN THOMAS 2008-09-25 US disclosed
CN-101094837-A Novel beta agonists, method for producing the same and their use as drugs BOEHRINGER INGELHEIM INT (DE) 2007-12-26 CN disclosed
US-20050245526-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 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-20080234278-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 DRD2 704/4885DRD3 586/4885RAB9A 1626/4885
US-20050245526-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 DRD2 704/4885DRD3 586/4885RAB9A 1626/4885

“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.