SCHEMBL29205166

SCHEMBL29205166

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
PTAFR P25105 1/20 0.48
PROKR1 Q8TCW9 4/20 0.47
AKR1C3 P42330 5/20 0.43
POLB P06746 1/20 0.40
MCHR1 Q99705 2/20 0.40
CHRM1 P11229 1/20 0.40
HTR2A P28223 1/20 0.40
ALOX12 P18054 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPX4 P36969 1/20 0.38
KMT2A Q03164 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
SCHEMBL29205140 0.87 MAPK13 (0.38) ALDH1A1HPGDPROKR1AKR1C3POLB
SCHEMBL27166104 0.87 ALDH1A1 (0.50) ALDH1A1HPGDPROKR1AKR1C3POLB
SCHEMBL29205133 0.85 KMT2A (0.47) ALDH1A1HPGDPTAFRAKR1C3POLB
SCHEMBL29205172 0.85 AKR1C3 (0.59) ALDH1A1HPGDPROKR1AKR1C3LMNA
SCHEMBL27166033 0.84 PROKR1 (0.44) PROKR1AKR1C3KMT2A
SCHEMBL27166109 0.82 PROKR1 (0.44) PROKR1AKR1C3KMT2A
SCHEMBL22783498 0.81 NOTUM (0.44) ALDH1A1PTAFRSMN1; SMN2KMT2A
SCHEMBL27166031 0.81 ALOX5 (0.48) PROKR1AKR1C3KMT2A
SCHEMBL27166130 0.80 PROKR1 (0.45) PROKR1
SCHEMBL27166175 0.79 PROKR1 (0.42) PROKR1AKR1C3KMT2A

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 ALDH1A1 107/4885HPGD 38/4885PTAFR 2312/4885
US-12637471-B2 Heterocyclic compounds, compositions, methods of preparation and uses thereof AKR1C3, AKR1C4, AKR1C2 ALDH1A1 100/4885HPGD 61/4885PTAFR 2485/4885

“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.