SCHEMBL1630309

SCHEMBL1630309

[CH2]c1ccnn1CCNC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.43
ALDH1A1 P00352 1/20 0.41
GFER P55789 1/20 0.41
PCSK9 Q8NBP7 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
BCHE P06276 1/20 0.39
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
SCN9A Q15858 1/20 0.39
CYP3A4 P08684 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
BRD4 O60885 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
SCHEMBL1630312 0.85 MAPK1 (0.50) DRD2ALDH1A1GFERPCSK9TDP1
SCHEMBL24803532 0.83 DRD2 (0.42) DRD2ALDH1A1GFERPCSK9TDP1
SCHEMBL30625863 0.83 DRD2 (0.42) DRD2ALDH1A1GFERPCSK9TDP1
SCHEMBL18457886 0.79 ADORA3 (0.42) DRD2ALDH1A1GFERPCSK9TDP1
SCHEMBL19977078 0.76 DYRK1A (0.45) DRD2TDP1STK17BSTK17ACYP3A4
SCHEMBL173977 0.75 TDP1 (0.47) DRD2ALDH1A1GFERTDP1HTT
SCHEMBL4897352 0.75 DRD2 (0.47) DRD2ALDH1A1GFERTDP1STK17B
SCHEMBL31646524 0.74 DRD2 (0.46) DRD2TDP1STK17BSTK17ACYP3A4
SCHEMBL6133092 0.74 ALDH1A1 (0.48) DRD2ALDH1A1GFERPCSK9TDP1
SCHEMBL1632152 0.73 DRD2 (0.43) DRD2ALDH1A1GFERTDP1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 US claimed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 US claimed
US-20080139575-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-12 US claimed
US-20080132545-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-05 US claimed
US-7939548-B2 Aminopyridines, e.g.,N-{[6-(aminomethyl)(2-pyridyl)]methyl}(2-{[2-(3-fluorophenyl)ethyl]amino}-5-(3-pyridyl)(3-pyridyl))carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, COPD, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-05-10 US disclosed
US-7939534-B2 e.g. (2-{[2-(3-fluorophenyl)ethyl]amino}-6-piperidyl(3-pyridyl))-N-(3-pyridylmethyl)carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, chronic obstructive pulmonary disease, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-05-10 US disclosed
US-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 US disclosed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 US disclosed
US-20080139575-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-12 US disclosed
US-20080132545-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-05 US disclosed
WO-2008016643-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 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-20080139575-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 DRD2 4394/4885ALDH1A1 1756/4885GFER 4230/4885
US-20080132545-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 DRD2 4394/4885ALDH1A1 1756/4885GFER 4230/4885
US-20090012126-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 DRD2 4394/4885ALDH1A1 1756/4885GFER 4230/4885

“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.