SCHEMBL19268020

SCHEMBL19268020

CC(C)(C)OC(=O)N1CCC(c2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.51
MAPT P10636 3/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
NAMPT P43490 1/20 0.48
KDM4E B2RXH2 2/20 0.47
THRB P10828 2/20 0.47
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MET P08581 1/20 0.45
HPGDS O60760 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
STS P08842 1/20 0.44

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
SCHEMBL5106419 0.84 STS (0.49) MAPTALDH1A1LMNAKDM4ETHRB
SCHEMBL30436819 0.82 GPR119 (0.55) GPR119MAPTNAMPTKDM4ETHRB
SCHEMBL21885666 0.82 GPR119 (0.55) GPR119MAPTNAMPTKDM4ETHRB
SCHEMBL3436365 0.82 GPR119 (0.58) GPR119MAPTNAMPTKDM4ETHRB
SCHEMBL1420930 0.81 GPR119 (0.52) GPR119MAPTALDH1A1LMNAKDM4E
SCHEMBL23210070 0.81 GPR119 (0.57) GPR119MAPTNAMPTKDM4ETHRB
SCHEMBL29691314 0.81 GPR119 (0.57) GPR119MAPTNAMPTKDM4ETHRB
SCHEMBL70414 0.81 KDM1A (0.53) GPR119MAPTALDH1A1LMNAKDM4E
SCHEMBL21953943 0.81 GPR119 (0.56) GPR119MAPTNAMPTKDM4ETHRB
SCHEMBL1613087 0.81 GPR119 (0.56) GPR119MAPTNAMPTKDM4ETHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170240514-A1 Small Molecule Agonists of Neurotensin Receptor 1 Sanford Burnham Prebys Medical Discovery Institute 2017-08-24 US disclosed
US-20170240514-A1 Small Molecule Agonists of Neurotensin Receptor 1 Sanford Burnham Prebys Medical Discovery Institute 2017-08-24 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 (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-20170240514-A1 Small Molecule Agonists of Neurotensin Receptor 1 NTSR1, NTSR2, VIPR1 GPR119 50/4885MAPT 2152/4885ALDH1A1 3294/4885

“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.