SCHEMBL18325970

SCHEMBL18325970

Cc1cnn(-c2ncccc2C(=O)C(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.46
HCRTR2 O43614 3/20 0.46
MYC P01106 1/20 0.40
CAPN1 P07384 3/20 0.39
ALDH1A1 P00352 4/20 0.38
PDE10A Q9Y233 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 2/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
AHR P35869 1/20 0.35
KDM4E B2RXH2 3/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CHIA Q9BZP6 1/20 0.34
KAT6A Q92794 2/20 0.34

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 0.85 MYC (0.57) HCRTR1HCRTR2MYCCAPN1ALDH1A1
SCHEMBL18329236 0.85 HCRTR1 (0.48) HCRTR1HCRTR2MYCCAPN1ALDH1A1
SCHEMBL19652347 0.76 PDE10A (0.39) HCRTR1HCRTR2ALDH1A1PDE10AMAPK1
SCHEMBL16547469 0.75 PDE10A (0.42) HCRTR1HCRTR2ALDH1A1PDE10AMAPK1
SCHEMBL12528560 0.72 HSD11B1 (0.42) HCRTR1HCRTR2ALDH1A1PDE10AMAPK1
SCHEMBL19659251 0.71 PDE10A (0.37) HCRTR1HCRTR2CAPN1ALDH1A1PDE10A
SCHEMBL14149724 0.71 L3MBTL1 (0.40) HCRTR1HCRTR2ALDH1A1L3MBTL1NPC1
SCHEMBL2625484 0.71 P2RX7 (0.56) MYCALDH1A1L3MBTL1NPC1MAPT
SCHEMBL16543488 0.70 TRPV1 (0.35) ALDH1A1L3MBTL1NPC1MAPTRAB9A
SCHEMBL13543163 0.68 KDM4E (0.42) MYCALDH1A1L3MBTL1NPC1MAPT

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 3 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-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.