SCHEMBL27180720

SCHEMBL27180720

CCNC(C)c1cccc(-c2cc(OC(F)F)c3nccn3c2)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 6/20 0.35
▸ PDE4D Q08499 2/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ JAK2 O60674 3/20 0.34
▸ JAK1 P23458 3/20 0.34
▸ HDAC6 Q9UBN7 3/20 0.33
▸ RAF1 P04049 2/20 0.33
▸ BRAF P15056 2/20 0.33
▸ GPR139 Q6DWJ6 1/20 0.33
▸ PDE4B Q07343 1/20 0.32
▸ CD63 P08962 1/20 0.32
▸ SYK P43405 1/20 0.32

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
SCHEMBL29723821 1.00 HCRTR2 (0.35) HCRTR2PDE4DOPRK1JAK2JAK1
SCHEMBL24529205 1.00 HCRTR2 (0.35) HCRTR2PDE4DOPRK1JAK2JAK1
SCHEMBL27181434 0.89 SYK (0.39) HCRTR2OPRK1HDAC6CD63SYK
SCHEMBL24529318 0.89 SYK (0.39) HCRTR2OPRK1HDAC6CD63SYK
SCHEMBL29723692 0.82 HCRTR2 (0.37) HCRTR2PDE4DHDAC6RAF1BRAF
SCHEMBL24529207 0.81 HDAC6 (0.37) PDE4DJAK2JAK1HDAC6PDE4B
SCHEMBL27180131 0.79 HCRTR2 (0.48) HCRTR2PDE4DHDAC6RAF1BRAF
SCHEMBL27180128 0.79 HCRTR2 (0.48) HCRTR2PDE4DHDAC6RAF1BRAF
SCHEMBL24529531 0.76 HCRTR2 (0.52) HCRTR2OPRK1JAK2
SCHEMBL27179772 0.76 HCRTR2 (0.52) HCRTR2OPRK1JAK2

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 2/4885PDE4D 968/4885OPRK1 53/4885

“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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