SCHEMBL16680219

SCHEMBL16680219

COc1ncc([N+](=O)[O-])cc1NC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 3/20 0.46
KMT2A Q03164 5/20 0.44
MAPT P10636 2/20 0.44
PKM P14618 2/20 0.44
CYP19A1 P11511 1/20 0.44
MEN1 O00255 3/20 0.44
CYP2C19 P33261 1/20 0.43
EPHX1 P07099 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.42
PABPC1 P11940 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL15545438 0.88 KMT2A (0.44) CYP1A2GAASMN1; SMN2HTTKMT2A
SCHEMBL15545435 0.88 KMT2A (0.44) CYP1A2GAASMN1; SMN2HTTKMT2A
SCHEMBL15081220 0.79 CYP2C19 (0.42) CYP1A2GAAHTTKMT2AMAPT
SCHEMBL8326765 0.78 OPRK1 (0.50) CYP1A2GAAHTTKMT2AMAPT
SCHEMBL2067101 0.77 PIK3CD (0.42) CYP1A2SMN1; SMN2HTTKMT2AMAPT
SCHEMBL10745494 0.77 POLB (0.49) CYP1A2SMN1; SMN2HTTKMT2AMAPT
SCHEMBL3318266 0.76 CTSV (0.48) HTTKMT2AMAPTPKMMEN1
SCHEMBL19648323 0.75 CYP1A2 (0.51) CYP1A2GAASMN1; SMN2HTTKMT2A
SCHEMBL8205875 0.75 CYP2C19 (0.41) CYP1A2GAAHTTKMT2AMAPT
SCHEMBL2502044 0.75 HTT (0.76) SMN1; SMN2HTTKMT2AMAPTPKM

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 9 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
US-9249160-B2 Orexin receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2016-02-02 US disclosed
US-20150126498-A1 OREXIN RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2015-05-07 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 (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 CYP1A2 1466/4885GAA 3136/4885SMN1; SMN2 2490/4885
US-10316028-B2 Orexin receptor antagonists HCRTR2, HCRTR1, NPY4R CYP1A2 1466/4885GAA 3136/4885SMN1; SMN2 2490/4885
US-20180370961-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R CYP1A2 1466/4885GAA 3136/4885SMN1; SMN2 2490/4885
US-20150126498-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R CYP1A2 1466/4885GAA 3136/4885SMN1; SMN2 2490/4885
US-20160213678-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R CYP1A2 1466/4885GAA 3136/4885SMN1; SMN2 2490/4885

“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.