SCHEMBL27150520

SCHEMBL27150520

O=C(N1CC2(CC(n3cnc(C4CC4)n3)C2)C1)N1CC2(CN(Cc3ccc(F)cc3F)C2)C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 6/20 0.53
▸ ALDH1A1 P00352 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PDE9A O76083 2/20 0.34
▸ GRIN2B Q13224 1/20 0.33
▸ GPBAR1 Q8TDU6 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ IKBKB O14920 1/20 0.33
▸ CCR4 P51679 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
SCHEMBL27148680 0.92 MGLL (0.52) MGLLPDE9A
SCHEMBL30945223 0.90 MGLL (0.57) MGLL
SCHEMBL27246293 0.90 MGLL (0.55) MGLL
SCHEMBL27154914 0.88 MGLL (0.64) MGLLGRIN2BCCR4
SCHEMBL30011739 0.86 MGLL (0.53) MGLL
SCHEMBL27246370 0.85 MGLL (0.56) MGLL
SCHEMBL27151046 0.85 MGLL (0.60) MGLLGRIN2BCCR4
SCHEMBL27154637 0.81 MGLL (0.50) MGLLALDH1A1
SCHEMBL27150741 0.81 MGLL (0.51) MGLLALDH1A1
SCHEMBL27140111 0.81 MGLL (0.51) MGLLGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199587-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-06-20 — — US claimed
EP-4326714-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-02-28 — — EP claimed
CN-117295726-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-12-26 — — CN claimed
WO-2022223750-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2022-10-27 — — WO claimed
US-20240199587-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-06-20 — — US disclosed
CN-117295726-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-12-26 — — CN 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 4524/4885ALDH1A1 295/4885TDP1 2562/4885

“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.

Send feedback