SCHEMBL15544895

SCHEMBL15544895

COc1cc(N)cnc1N(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KDM4C Q9H3R0 1/20 0.35
KDM4E B2RXH2 4/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DDO Q99489 1/20 0.35
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NEK2 P51955 3/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32

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
SCHEMBL15587736 0.81 AAK1 (0.35) ALDH1A1
SCHEMBL15902113 0.80 MAPT (0.37) ALDH1A1KDM4ELMNAKMT2AHTT
SCHEMBL15545613 0.79 GABRP (0.39) ALDH1A1KDM4CKDM4ELMNAMEN1
SCHEMBL15545493 0.77 ALDH1A1 (0.45) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL15545495 0.77 ALDH1A1 (0.45) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL15545025 0.75 MAPT (0.36) ALDH1A1KDM4CKDM4ELMNAMEN1
SCHEMBL20918389 0.73 ALDH1A1 (0.39) ALDH1A1KDM4CKDM4ELMNAMEN1
SCHEMBL15770749 0.72 ALDH1A1 (0.36) ALDH1A1KDM4CKDM4ELMNAHTT
SCHEMBL15545335 0.70 L3MBTL1 (0.39) ALDH1A1KDM4CKDM4ELMNAKMT2A
SCHEMBL29158125 0.70 AGBL2 (0.44) ALDH1A1KDM4CKDM4EGAACA5A

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 3165/4885KDM4C 2074/4885KDM4E 1025/4885
US-10316028-B2 Orexin receptor antagonists HCRTR2, HCRTR1, NPY4R ALDH1A1 3165/4885KDM4C 2074/4885KDM4E 1025/4885
US-20180370961-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R ALDH1A1 3165/4885KDM4C 2074/4885KDM4E 1025/4885
US-20150126498-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R ALDH1A1 3165/4885KDM4C 2074/4885KDM4E 1025/4885
US-20160213678-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R ALDH1A1 3165/4885KDM4C 2074/4885KDM4E 1025/4885

“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.