SCHEMBL29205140

SCHEMBL29205140

CC(=O)N1CCN(C(=O)N2CCC(=C(C#N)c3ccc(F)cc3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
AKR1C3 P42330 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD11B1 P28845 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
GFER P55789 1/20 0.37
HPGD P15428 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
SCHEMBL29205127 0.88 ALOX5 (0.42) AKR1C3ALDH1A1HSD11B1SMN1; SMN2KDM4E
SCHEMBL29205166 0.87 ALDH1A1 (0.52) AKR1C3ALDH1A1SMN1; SMN2ALOX12HPGD
SCHEMBL29205157 0.87 ALOX5 (0.44) ALDH1A1HSD11B1SMN1; SMN2KDM4EMAPT
SCHEMBL27166172 0.85 AKR1C3 (0.53) AKR1C3HSD11B1SMN1; SMN2KDM4EMAPT
SCHEMBL29205169 0.85 HPGD (0.38) AKR1C3ALDH1A1HSD11B1MAPTHPGD
SCHEMBL27166076 0.84 HSD11B1 (0.43) ALDH1A1HSD11B1KDM4EGAAPOLB
SCHEMBL29205165 0.82 HSD11B1 (0.40) AKR1C3HSD11B1PROKR1RORC
SCHEMBL30828288 0.82 NPC1 (0.46) AKR1C3ALDH1A1SMN1; SMN2HPGD
SCHEMBL29205121 0.82 NPC1 (0.46) AKR1C3ALDH1A1SMN1; SMN2HPGD
SCHEMBL27152941 0.82 HSD11B1 (0.39) ALDH1A1HSD11B1SMN1; SMN2KDM4EMAPT

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 MAPK13 2749/4885CYP2C9 121/4885CYP2C19 100/4885
US-12637471-B2 Heterocyclic compounds, compositions, methods of preparation and uses thereof AKR1C3, AKR1C4, AKR1C2 MAPK13 3664/4885CYP2C9 139/4885CYP2C19 141/4885

“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.