SCHEMBL4277889

SCHEMBL4277889

O=C(O)N1CCC(COc2ncc(Br)cc2[N+](=O)[O-])CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
THRB P10828 3/20 0.38
SIGMAR1 Q99720 1/20 0.37
HTT P42858 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36
F2 P00734 2/20 0.35
MAPK1 P28482 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CNR2 P34972 1/20 0.33
EGFR P00533 1/20 0.33
KDR P35968 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
SCHEMBL26129697 0.89 RBP4 (0.33) GAATHRBSMN1; SMN2LMNAALDH1A1
SCHEMBL14285782 0.86 FNTA (0.43)
SCHEMBL617530 0.80 GAA (0.41) GAATHRBSIGMAR1HTTSMN1; SMN2
SCHEMBL617529 0.80 GAA (0.41) GAATHRBSIGMAR1HTTSMN1; SMN2
SCHEMBL26130599 0.79 KDM4E (0.42) SIGMAR1HTTSMN1; SMN2LMNAALDH1A1
SCHEMBL3982770 0.79 THRB (0.42) THRBF2
SCHEMBL3982766 0.79 THRB (0.42) THRBF2
SCHEMBL29969907 0.78 CHRNB4 (0.40) HRH3EGFRKDR
SCHEMBL26131669 0.78 CHRNB4 (0.40) HRH3EGFRKDR
SCHEMBL29968865 0.77 IDO1 (0.39) LMNAALDH1A1

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
EP-2059516-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (publ) (SE) 2009-05-20 EP disclosed
US-20080103123-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
WO-2008025798-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 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 (1 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-20080103123-A1 New compounds GPR119, GPR139, GPR180 GAA 2918/4885THRB 428/4885SIGMAR1 610/4885

“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.