SCHEMBL15544893

SCHEMBL15544893

COc1cc(N)cnc1CNC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.42
ALDH1A1 P00352 2/20 0.41
DPP4 P27487 10/20 0.40
ADORA1 P30542 1/20 0.38
MAPK1 P28482 1/20 0.37
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL29158125 0.81 AGBL2 (0.44) ALDH1A1DPP4TSHR
SCHEMBL15545611 0.81 AGBL2 (0.42) ADORA2AALDH1A1ADORA1TSHRMEN1
SCHEMBL22557745 0.80 DPP4 (0.44) ALDH1A1DPP4
SCHEMBL16680964 0.79 ATM (0.45) ALDH1A1MEN1KMT2A
SCHEMBL16680963 0.79 ATM (0.45) ALDH1A1MEN1KMT2A
SCHEMBL22557290 0.79 DPP4 (0.47) ALDH1A1DPP4MAPK1TSHR
SCHEMBL15545023 0.76 SLC13A5 (0.40) ALDH1A1MAPK1TSHRNPSR1MEN1
SCHEMBL22556967 0.74 DPP4 (0.41) ALDH1A1DPP4MAPK1TSHR
SCHEMBL30753587 0.74 DPP4 (0.41) ALDH1A1DPP4MAPK1TSHR
SCHEMBL15544876 0.73 ATM (0.41) ALDH1A1MEN1KMT2A

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 ADORA2A 291/4885ALDH1A1 3165/4885DPP4 1640/4885
US-10316028-B2 Orexin receptor antagonists HCRTR2, HCRTR1, NPY4R ADORA2A 291/4885ALDH1A1 3165/4885DPP4 1640/4885
US-20180370961-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R ADORA2A 291/4885ALDH1A1 3165/4885DPP4 1640/4885
US-20150126498-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R ADORA2A 291/4885ALDH1A1 3165/4885DPP4 1640/4885
US-20160213678-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R ADORA2A 291/4885ALDH1A1 3165/4885DPP4 1640/4885

“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.