SCHEMBL15544743

SCHEMBL15544743

COc1nc(N)ccc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.54
NOS3 P29474 4/20 0.54
NOS1 P29475 2/20 0.54
NCF1 P14598 2/20 0.41
MCHR1 Q99705 1/20 0.41
BACE1 P56817 3/20 0.36
NCK1 P16333 1/20 0.36
KDM4E B2RXH2 3/20 0.36
NPC1 O15118 2/20 0.36
LMNA P02545 2/20 0.36
RAB9A P51151 2/20 0.36
MITF O75030 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
AGTR1 P30556 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL13746013 0.79 NCF1 (0.42) NOS2NOS3NOS1NCF1MCHR1
SCHEMBL359862 0.77 MCHR1 (0.50) NOS2NOS3NOS1NCF1MCHR1
SCHEMBL15195554 0.77 CRHBP (0.42) NOS2NOS3NOS1LMNAGAA
SCHEMBL10075373 0.76 APOBEC3A (0.42) KDM4ENPC1LMNARAB9ATP53
SCHEMBL31253174 0.76 MCHR1 (0.40) NOS2NOS3NOS1NCF1MCHR1
SCHEMBL6690974 0.76 CRHBP (0.41) NOS2NOS3NOS1NCF1MCHR1
SCHEMBL30531704 0.76 CRHBP (0.41) NOS2NOS3NOS1NCF1MCHR1
SCHEMBL20679536 0.76 NCF1 (0.40) NOS2NOS3NOS1NCF1MCHR1
SCHEMBL1256181 0.76 MCHR1 (0.40) NOS2NOS3NOS1NCF1MCHR1
SCHEMBL1911864 0.74 POLB (0.52) NPC1RAB9ATSHRHTTMAPT

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 26 patents — showing the first 20. 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-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-9850237-B2 Orexin receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2017-12-26 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
US-20170121320-A1 OREXIN RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2017-05-04 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-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-9249160-B2 Orexin receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2016-02-02 US disclosed
US-9249160-B2 Orexin receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2016-02-02 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
US-20150126498-A1 OREXIN RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2015-05-07 US 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
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 NOS2 2918/4885NOS3 1389/4885NOS1 2729/4885
US-10316028-B2 Orexin receptor antagonists HCRTR2, HCRTR1, NPY4R NOS2 2918/4885NOS3 1389/4885NOS1 2729/4885
US-20180370961-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R NOS2 2918/4885NOS3 1389/4885NOS1 2729/4885
US-20150126498-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R NOS2 2918/4885NOS3 1389/4885NOS1 2729/4885
US-20160213678-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R NOS2 2918/4885NOS3 1389/4885NOS1 2729/4885

“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.