SCHEMBL15545353

SCHEMBL15545353

COc1ncc([N+](=O)[O-])cc1N(C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 5/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 3/20 0.37
HTT P42858 2/20 0.37
ATM Q13315 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PKM P14618 2/20 0.35
POLB P06746 1/20 0.35
PABPC1 P11940 1/20 0.35
KAT2B Q92831 1/20 0.35
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL15544175 0.86 CYP2C19 (0.37) ALDH1A1CYP2C19KMT2AMEN1MAPT
SCHEMBL15544172 0.86 CYP2C19 (0.37) ALDH1A1CYP2C19KMT2AMEN1MAPT
SCHEMBL17467169 0.83 CYP2C19 (0.42) ALDH1A1CYP2C19KMT2AMEN1MAPT
SCHEMBL17467166 0.83 CYP2C19 (0.42) ALDH1A1CYP2C19KMT2AMEN1MAPT
SCHEMBL26928548 0.80 ALDH1A1 (0.40) ALDH1A1CYP2C19KMT2AMEN1MAPT
SCHEMBL15545493 0.78 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL15545495 0.78 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL15545025 0.77 MAPT (0.36) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL3318266 0.77 CTSV (0.48) ALDH1A1CYP2C19KMT2AMEN1MAPT
SCHEMBL16680148 0.76 CYP2C19 (0.39) ALDH1A1CYP2C19KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10316028-B2 Orexin receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2019-06-11 US disclosed
US-20180370961-A1 OREXIN RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2018-12-27 US disclosed
US-9850237-B2 Orexin receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2017-12-26 US disclosed
US-20170121320-A1 OREXIN RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2017-05-04 US disclosed
EP-2870144-B1 OREXIN RECEPTOR ANTAGONISTS HEPTARES THERAPEUTICS LTD (GB) 2017-04-19 EP disclosed
US-9555044-B2 Orexin receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2017-01-31 US disclosed
US-20160213678-A1 OREXIN RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2016-07-28 US disclosed
EP-2870144-A1 OREXIN RECEPTOR ANTAGONISTS Heptares Therapeutics Limited (GB) 2015-05-13 EP disclosed
US-20150126498-A1 OREXIN RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2015-05-07 US disclosed
WO-2014006402-A1 OREXIN RECEPTOR ANTAGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2014-01-09 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 (5 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-20170121320-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R ALDH1A1 3165/4885CYP2C19 2065/4885KMT2A 1060/4885
US-10316028-B2 Orexin receptor antagonists HCRTR2, HCRTR1, NPY4R ALDH1A1 3165/4885CYP2C19 2065/4885KMT2A 1060/4885
US-20180370961-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R ALDH1A1 3165/4885CYP2C19 2065/4885KMT2A 1060/4885
US-20150126498-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R ALDH1A1 3165/4885CYP2C19 2065/4885KMT2A 1060/4885
US-20160213678-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R ALDH1A1 3165/4885CYP2C19 2065/4885KMT2A 1060/4885

“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.