SCHEMBL18329236

SCHEMBL18329236

CC(=O)c1cccnc1-n1cc(C)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.48
HCRTR2 O43614 2/20 0.48
MYC P01106 1/20 0.43
ALDH1A1 P00352 3/20 0.40
CAPN1 P07384 2/20 0.39
PDE10A Q9Y233 1/20 0.38
KDM4E B2RXH2 4/20 0.38
MAPK1 P28482 2/20 0.37
MAPT P10636 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CHIA Q9BZP6 1/20 0.36
P2RX7 Q99572 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL17725519 0.88 MYC (0.57) HCRTR1HCRTR2MYCALDH1A1CAPN1
SCHEMBL18325970 0.85 HCRTR1 (0.46) HCRTR1HCRTR2MYCALDH1A1CAPN1
SCHEMBL16547469 0.78 PDE10A (0.42) HCRTR1HCRTR2ALDH1A1PDE10AKDM4E
SCHEMBL16544035 0.77 HCRTR2 (0.49) HCRTR1HCRTR2MYCALDH1A1CAPN1
SCHEMBL12528560 0.75 HSD11B1 (0.42) HCRTR1HCRTR2ALDH1A1PDE10AKDM4E
SCHEMBL19652347 0.73 PDE10A (0.39) HCRTR1HCRTR2ALDH1A1PDE10AKDM4E
SCHEMBL22731836 0.72 KCNJ1 (0.50) MYCALDH1A1KDM4EMAPTNPC1
SCHEMBL26643160 0.70 KDM4E (0.37) ALDH1A1KDM4EMAPK1MAPTNPC1
SCHEMBL541283 0.70 CAPN1 (0.58) MYCALDH1A1CAPN1KDM4EMAPT
SCHEMBL19659251 0.69 PDE10A (0.37) HCRTR1HCRTR2ALDH1A1CAPN1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9586934-B2 2-pyridyloxy-4-methyl orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-20160368898-A1 2-PYRIDYLOXY-4-METHYL OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-12-22 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 (1 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-20160368898-A1 2-PYRIDYLOXY-4-METHYL OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY2R HCRTR1 2/4885HCRTR2 1/4885MYC 4839/4885

“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.