SCHEMBL439522

SCHEMBL439522

CCNC(=O)c1nc(C)cnc1C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 3/20 0.36
▸ KCNJ6 P48051 1/20 0.36
▸ KCNJ3 P48549 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HSD11B1 P28845 1/20 0.35
▸ CNR2 P34972 4/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ KDM5B Q9UGL1 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ ACVR1 Q04771 1/20 0.34
▸ PLAT P00750 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 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
SCHEMBL441222 0.77 KDM4E (0.42) CNR1KDM4ENPSR1HSD17B10ACVR1
SCHEMBL12024794 0.77 PLAT (0.40) CNR1HSD11B1GABRA5ALOX15PLAT
SCHEMBL441304 0.72 TP53 (0.44) KDM4E
SCHEMBL10134761 0.72 CA2 (0.39) KDM4ECNR2ALOX15PLAT
SCHEMBL12359377 0.71 FASN (0.41) KDM4ECNR2ALOX15PLAT
SCHEMBL439270 0.71 TP53 (0.46) KDM4E
SCHEMBL31498515 0.71 DGAT1 (0.39) CNR1PDE10ACNR2KDM5B
SCHEMBL11620109 0.69 KMT2A (0.42) HSP90AB1
SCHEMBL13998892 0.68 HSP90AB1 (0.36) ALOX15HSP90AB1
SCHEMBL440883 0.68 CNR1 (0.40) CNR1KDM4EACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065205-A1 PYRAZINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2012-03-15 — — 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-20120065205-A1 PYRAZINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY5R CNR1 22/4885KCNJ6 1266/4885KCNJ3 1003/4885

“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.

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