SCHEMBL30012588

SCHEMBL30012588

O=C(N1CC2(CCC(Cc3ccc(C(F)(F)F)nc3)C2)C1)N1CC2(CC(c3ccc(C(F)(F)F)nc3)C2)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 9/20 0.40
▸ ENPP2 Q13822 3/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.36
▸ DGAT1 O75907 1/20 0.34
▸ HCAR2 Q8TDS4 1/20 0.34
▸ OPRM1 P35372 1/20 0.33
▸ OPRL1 P41146 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP3A5 P20815 1/20 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
SCHEMBL27151846 1.00 MGLL (0.40) MGLLENPP2HRH3DGAT1HCAR2
SCHEMBL27246270 0.93 MGLL (0.42) MGLLENPP2HRH3DGAT1HCAR2
SCHEMBL30012263 0.93 MGLL (0.42) MGLLENPP2HRH3DGAT1HCAR2
SCHEMBL30553282 0.87 MGLL (0.40) MGLLENPP2DGAT1OPRM1OPRL1
SCHEMBL25325955 0.87 MGLL (0.40) MGLLENPP2DGAT1OPRM1OPRL1
SCHEMBL27246332 0.86 ENPP2 (0.39) MGLLENPP2HRH3
SCHEMBL30012550 0.86 ENPP2 (0.39) MGLLENPP2HRH3
SCHEMBL25262190 0.85 MGLL (0.38) MGLLENPP2OPRM1OPRL1NAMPT
SCHEMBL30720264 0.85 HRH3 (0.43) MGLLHRH3DGAT1KCNH2
SCHEMBL27149307 0.85 HRH3 (0.43) MGLLHRH3DGAT1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117295726-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-12-26 — — CN claimed
US-20240199587-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-06-20 — — US disclosed
EP-4326714-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-02-28 — — EP disclosed
CN-117295726-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-12-26 — — CN disclosed
WO-2022223750-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2022-10-27 — — 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-20240199587-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP1A1, CYP4B1 MGLL 4524/4885ENPP2 2178/4885HRH3 1117/4885

“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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