SCHEMBL1629754

SCHEMBL1629754

CC(=O)NCC1CCCCN1C=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAP Q12884 2/20 0.37
ALDH1A1 P00352 2/20 0.37
DPP4 P27487 1/20 0.37
PREP P48147 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MTNR1A P48039 4/20 0.34
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
TSHR P16473 1/20 0.33
DRD2 P14416 1/20 0.33

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
SCHEMBL4153921 0.95 FAP (0.41) FAPALDH1A1DPP4PREPL3MBTL1
SCHEMBL14207067 0.95 FAP (0.41) FAPALDH1A1DPP4PREPL3MBTL1
SCHEMBL4080522 0.80 MEN1 (0.35) ALDH1A1KDM4E
SCHEMBL5100397 0.78 ALDH1A1 (0.41) ALDH1A1L3MBTL1MTNR1AHTTDRD2
SCHEMBL13135463 0.78 CYP1A2 (0.44) FAPALDH1A1DPP4PREPNPSR1
SCHEMBL1629750 0.74 CTSL (0.41) FAPALDH1A1DPP4PREPL3MBTL1
SCHEMBL13135452 0.74 SIGMAR1 (0.45) FAPALDH1A1DPP4PREPL3MBTL1
SCHEMBL1632165 0.74 XPNPEP1 (0.40) FAPDPP4PREP
SCHEMBL15904356 0.74 FFAR1 (0.37) L3MBTL1
SCHEMBL22908398 0.74 ALDH1A1 (0.35) ALDH1A1L3MBTL1

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-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
WO-2008016643-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO claimed
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-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-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 FAP 1683/4885ALDH1A1 1756/4885DPP4 2263/4885
US-20080132545-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 FAP 1683/4885ALDH1A1 1756/4885DPP4 2263/4885
US-20090012126-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 FAP 1683/4885ALDH1A1 1756/4885DPP4 2263/4885

“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.