SCHEMBL30057764

SCHEMBL30057764

CC(O)C1CCN(C(=O)N2CCC(=C(C#N)c3cccc(Cl)c3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.41
HSD11B1 P28845 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CHRNA1 P02708 1/20 0.38
CHRNG P07510 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
SLC6A2 P23975 1/20 0.38
CHRNB4 P30926 1/20 0.38
SLC6A4 P31645 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CHRND Q07001 1/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
KDM2B Q8NHM5 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL29205163 1.00 MGLL (0.41) MGLLHSD11B1NPSR1CHRNA1CHRNG
SCHEMBL30056286 0.88 MGLL (0.40) MGLLHSD11B1NPSR1CHRNA1CHRNG
SCHEMBL27166097 0.88 MGLL (0.40) MGLLHSD11B1NPSR1CHRNA1CHRNG
SCHEMBL30055604 0.86 MGLL (0.45) MGLLHSD11B1NPSR1CYP2D6CYP2C19
SCHEMBL27166027 0.86 MGLL (0.45) MGLLHSD11B1NPSR1CYP2D6CYP2C19
SCHEMBL30055584 0.85 MGLL (0.42) MGLLHSD11B1NPSR1CYP2D6CYP2C19
SCHEMBL27166063 0.85 MGLL (0.42) MGLLHSD11B1NPSR1CYP2D6CYP2C19
SCHEMBL29205175 0.84 MGLL (0.42) MGLLHSD11B1NPSR1CYP2D6CYP2C19
SCHEMBL30828281 0.84 MGLL (0.42) MGLLHSD11B1NPSR1CYP2D6CYP2C19
SCHEMBL30055420 0.84 MGLL (0.40) MGLLHSD11B1NPSR1CYP2D6CYP2C19

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-12637471-B2 Heterocyclic compounds, compositions, methods of preparation and uses thereof ORGANON R&D FINLAND LTD. (FI) 2026-05-26 US disclosed
EP-4334289-B1 NOVEL HETEROCYCLIC COMPOUNDS, COMPOSITIONS, METHODS OF PREPARATION AND USES THEREOF Organon R&D Finland Oy (FI) 2025-06-25 EP disclosed
US-20240254131-A1 NOVEL HETEROCYCLIC COMPOUNDS, COMPOSITIONS, METHODS OF PREPARATION AND USES THEREOF ORGANON R&D FINLAND LTD. (FI) 2024-08-01 US disclosed
CN-117794899-A Novel heterocyclic compounds, compositions, methods of preparation and uses thereof 欧加农研发芬兰有限公司 2024-03-29 CN disclosed
EP-4334289-A1 NOVEL HETEROCYCLIC COMPOUNDS, COMPOSITIONS, METHODS OF PREPARATION AND USES THEREOF Organon R&D Finland Ltd (FI) 2024-03-13 EP disclosed
WO-2022234193-A1 NOVEL HETEROCYCLIC COMPOUNDS, COMPOSITIONS, METHODS OF PREPARATION AND USES THEREOF FORENDO PHARMA LTD (FI) 2022-11-10 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 (2 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-20240254131-A1 NOVEL HETEROCYCLIC COMPOUNDS, COMPOSITIONS, METHODS OF PREPARATION AND USES THEREOF AKR1C3, AKR1C4, AKR1C1 MGLL 1354/4885HSD11B1 17/4885NPSR1 1463/4885
US-12637471-B2 Heterocyclic compounds, compositions, methods of preparation and uses thereof AKR1C3, AKR1C4, AKR1C2 MGLL 450/4885HSD11B1 11/4885NPSR1 1426/4885

“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.