SCHEMBL14883259

SCHEMBL14883259

COc1ccc(C(C)C)c(-n2nccn2)n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 10/20 0.36
HCRTR1 O43613 8/20 0.36
ALOX5 P09917 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
TXNRD1 Q16881 1/20 0.31
PDE10A Q9Y233 1/20 0.31
POLB P06746 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL14883192 0.77 HCRTR1 (0.36) HCRTR2HCRTR1
SCHEMBL19315148 0.77 HCRTR2 (0.39) HCRTR2HCRTR1HTR2AHTR2CHTR2B
SCHEMBL18415719 0.73 HCRTR2 (0.35) HCRTR2HCRTR1ALOX5HTR2AHTR2C
SCHEMBL14885654 0.72 IDH1 (0.33) HCRTR2HCRTR1HTR2AHTR2CHTR2B
SCHEMBL17071979 0.71 HCRTR2 (0.47) HCRTR2HCRTR1POLBTDP1
SCHEMBL1672510 0.71 TDP1 (0.57) HCRTR2HCRTR1POLBTDP1
SCHEMBL17586768 0.71 TXNRD1 (0.36) TXNRD1PDE10APOLBTDP1
SCHEMBL12049970 0.71 POLB (0.47) TXNRD1PDE10APOLBTDP1
SCHEMBL2609304 0.71 NNMT (0.46) TXNRD1PDE10APOLBTDP1
SCHEMBL20375150 0.71 TXNRD1 (0.36) TXNRD1PDE10APOLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156819-B2 2-pyridyloxy-4-nitrile orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-10-13 US disclosed
US-9156819-B2 2-pyridyloxy-4-nitrile orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-10-13 US disclosed
US-20130102619-A1 2-PYRIDYLOXY-4-NITRILE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2013-04-25 US disclosed
US-20130102619-A1 2-PYRIDYLOXY-4-NITRILE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2013-04-25 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-20130102619-A1 2-PYRIDYLOXY-4-NITRILE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NTSR2 HCRTR2 1/4885HCRTR1 2/4885ALOX5 598/4885

“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.