SCHEMBL17449166

SCHEMBL17449166

CC(=O)c1ncccc1-n1nccn1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 14/20 0.47
HCRTR2 O43614 12/20 0.47
MYC P01106 1/20 0.46
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL608802 0.84 MYC (0.60) HCRTR1HCRTR2MYCALDH1A1
SCHEMBL14938379 0.82 HCRTR1 (0.44) HCRTR1HCRTR2MYCALDH1A1
SCHEMBL17448831 0.81 HCRTR1 (0.45) HCRTR1HCRTR2MYC
SCHEMBL19564494 0.81 HCRTR1 (0.44) HCRTR1HCRTR2MYC
SCHEMBL21988904 0.78 HCRTR1 (0.44) HCRTR1HCRTR2MYCALDH1A1
SCHEMBL22289030 0.78 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL16149125 0.78 BRD4 (0.55) HCRTR1HCRTR2MYC
SCHEMBL12150154 0.74 HCRTR2 (0.45) HCRTR1HCRTR2
SCHEMBL19203451 0.74 HCRTR2 (0.52) HCRTR1HCRTR2
SCHEMBL18412761 0.72 POLB (0.51) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320874-A1 6,5-BICYCLIC OCTAHYDROPYRROLOPYRIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-11-09 US disclosed
US-9745284-B2 2-pyridyloxy-4-ether orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-08-29 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
WO-2016100157-A2 6,5-BICYCLIC OCTAHYDROPYRROLOPYRIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-06-23 WO disclosed
US-20160016935-A1 2-PYRIDYLOXY-4-ETHER OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-01-21 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 (3 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-20170320874-A1 6,5-BICYCLIC OCTAHYDROPYRROLOPYRIDINE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY5R HCRTR1 2/4885HCRTR2 1/4885MYC 4488/4885
US-20160368898-A1 2-PYRIDYLOXY-4-METHYL OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY2R HCRTR1 2/4885HCRTR2 1/4885MYC 4839/4885
US-20160016935-A1 2-PYRIDYLOXY-4-ETHER OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY2R HCRTR1 2/4885HCRTR2 1/4885MYC 4842/4885

“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.