SCHEMBL2836809

SCHEMBL2836809

CC1=CC(N)N(C(=O)OC(C)(C)C)C(C)=C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.34
GPR119 Q8TDV5 6/20 0.33
KDM1A O60341 1/20 0.33
NR1H2 P55055 1/20 0.33
BCHE P06276 1/20 0.33
ABCB1 P08183 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
KLK5 Q9Y337 1/20 0.32
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
PTPN6 P29350 1/20 0.31

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
SCHEMBL5341560 0.76 GPR119 (0.36) GPR119KDM1ANR1H2BCHEABCB1
SCHEMBL5847936 0.73 GPR119 (0.33) GPR119KDM1ABCHEABCB1CHRM2
SCHEMBL8988562 0.68 KLK7 (0.34) KLK7GPR119NR1H2BCHEKLK5
SCHEMBL2688973 0.66 GPR119 (0.36) GPR119NR1H2CHRM2CHRM1CHRM3
SCHEMBL4670424 0.66 GPR119 (0.33) KLK7GPR119KDM1ANR1H2BCHE
SCHEMBL24124278 0.66 KLK7 (0.40) KLK7GPR119BCHECHRM2CHRM1
SCHEMBL22336304 0.66 GPR119 (0.37) GPR119NR1H2CHRM2CHRM1CHRM3
SCHEMBL1258538 0.65 GPR119 (0.32) GPR119KDM1ABCHEABCB1
SCHEMBL2809749 0.65 BCHE (0.33) KLK7GPR119KDM1ABCHEKDM4E
SCHEMBL34473806 0.65 KLK7 (0.36) KLK7NR1H2BCHECHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8932842-B2 Aminopyridine dimer compounds, compositions and related methods for neuronal nitric oxide synthase inhibition NORTHWESTERN UNIVERSITY (US) 2015-01-13 US disclosed
US-20130040359-A1 Aminopyridine dimer compounds, compositions and related methods for neuronal nitric oxide synthase inhibition NORTHWESTERN UNIVERSITY (US) 2013-02-14 US disclosed
US-8278084-B2 Aminopyridine dimer compounds, compositions and related methods for neuronal nitric oxide synthase inhibition NORTHWESTERN UNIVERSITY (US) 2012-10-02 US disclosed
WO-2010093787-A2 AMINOPYRIDINE DIMER COMPOUNDS, COMPOSITIONS AND RELATED METHODS FOR NEURONAL NITRIC OXIDE SYNTHASE INHIBITION NORTHWESTERN UNIVERSITY (US) 2010-08-19 WO disclosed
US-20100203613-A1 Aminopyridine Dimer Compounds, Compositions and Related Methods for Neuronal Nitric Oxide Synthase Inhibition NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-08-12 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-20130040359-A1 Aminopyridine dimer compounds, compositions and related methods for neuronal nitric oxide synthase inhibition NOS2, NOS1, NOS3 KLK7 4808/4885GPR119 2304/4885KDM1A 1247/4885
US-20100203613-A1 Aminopyridine Dimer Compounds, Compositions and Related Methods for Neuronal Nitric Oxide Synthase Inhibition NOS2, NOS1, NOS3 KLK7 4808/4885GPR119 2304/4885KDM1A 1247/4885

“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.