SCHEMBL27180128

SCHEMBL27180128

CCN(C(=O)O)[C@H](C)c1cccc(-c2cc(OC(F)F)c3nccn3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 9/20 0.48
▸ HDAC6 Q9UBN7 3/20 0.35
▸ PDE4D Q08499 3/20 0.34
▸ RAF1 P04049 2/20 0.34
▸ BRAF P15056 2/20 0.34
▸ CFD P00746 1/20 0.34
▸ GRIN2B Q13224 2/20 0.33

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
SCHEMBL27180131 1.00 HCRTR2 (0.48) HCRTR2HDAC6PDE4DRAF1BRAF
SCHEMBL29723686 0.89 HCRTR2 (0.47) HCRTR2HDAC6PDE4DRAF1BRAF
SCHEMBL27179588 0.84 HCRTR2 (0.60) HCRTR2HDAC6RAF1BRAFGRIN2B
SCHEMBL27179589 0.84 HCRTR2 (0.60) HCRTR2HDAC6RAF1BRAFGRIN2B
SCHEMBL29723610 0.84 HCRTR2 (0.60) HCRTR2HDAC6RAF1BRAFGRIN2B
SCHEMBL24529371 0.84 HCRTR2 (0.60) HCRTR2HDAC6RAF1BRAFGRIN2B
SCHEMBL27179410 0.80 HCRTR2 (0.54) HCRTR2HDAC6
SCHEMBL24529325 0.80 HCRTR2 (0.54) HCRTR2HDAC6
SCHEMBL29723692 0.80 HCRTR2 (0.37) HCRTR2HDAC6PDE4DRAF1BRAF
SCHEMBL29723821 0.79 HCRTR2 (0.35) HCRTR2HDAC6PDE4DRAF1BRAF

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-20240101555-A1 UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2024-03-28 — — 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-20240101555-A1 UREA OREXIN RECEPTOR AGONISTS HCRTR1, HCRTR2, UTS2R HCRTR2 2/4885HDAC6 828/4885PDE4D 968/4885

“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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