SCHEMBL24529397

SCHEMBL24529397

CC[C@H](CCC(F)(F)F)NC(=O)N(CC)[C@H](C)c1cccc(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 7/20 0.48
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ PTGES O14684 2/20 0.35
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ RIPK1 Q13546 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 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
SCHEMBL27180728 1.00 HCRTR2 (0.48) HCRTR2ALDH1A1MAPTHTTNPSR1
SCHEMBL27180730 1.00 HCRTR2 (0.48) HCRTR2ALDH1A1MAPTHTTNPSR1
SCHEMBL27180893 0.83 HCRTR2 (0.43) HCRTR2
SCHEMBL24529384 0.83 HCRTR2 (0.43) HCRTR2
SCHEMBL27180895 0.83 HCRTR2 (0.43) HCRTR2
SCHEMBL24529394 0.77 PTGES (0.54) PTGESRAB9ASMN1; SMN2POLBRIPK1
SCHEMBL24529414 0.77 TAS1R3 (0.35) HCRTR2TAS1R3TAS1R1
SCHEMBL27181002 0.77 TAS1R3 (0.35) HCRTR2TAS1R3TAS1R1
SCHEMBL27180999 0.77 TAS1R3 (0.35) HCRTR2TAS1R3TAS1R1
SCHEMBL24529511 0.75 HCRTR2 (0.51) HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4262788-B1 UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2026-01-21 — — EP disclosed
US-20240101555-A1 UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2024-03-28 — — US disclosed
WO-2022132696-A1 UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-06-23 — — WO 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 2/4885ALDH1A1 2124/4885MAPT 307/4885

“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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