SCHEMBL29205148

SCHEMBL29205148

N#CC(=C1CCN(C(=O)N2CCOCC2)CC1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.56
EPHX2 P34913 2/20 0.48
MLYCD O95822 1/20 0.44
F2R P25116 1/20 0.43
KCNH2 Q12809 1/20 0.43
CD274 Q9NZQ7 1/20 0.41
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
TSHR P16473 2/20 0.40
USP2 O75604 1/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.39
STAT3 P40763 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
MCHR1 Q99705 1/20 0.39

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
SCHEMBL27166172 0.86 AKR1C3 (0.53) AKR1C3EPHX2TSHRPKMMEN1
SCHEMBL29205171 0.85 F2R (0.45) AKR1C3F2RTSHRMEN1HPGD
SCHEMBL29205172 0.84 AKR1C3 (0.59) AKR1C3TSHRMEN1HPGDKMT2A
SCHEMBL28392718 0.84 MEN1 (0.44) TSHRMEN1HPGDKMT2A
SCHEMBL27166106 0.82 HSD11B1 (0.41) F2RMCHR1
SCHEMBL27166057 0.81 HSD11B1 (0.40) F2RMCHR1
SCHEMBL29205142 0.81 MCHR1 (0.40) F2RTSHRMEN1HPGDKMT2A
SCHEMBL27166181 0.80 GAA (0.41) AKR1C3F2RTSHRMEN1HPGD
SCHEMBL29205173 0.80 MCHR1 (0.39) AKR1C3EPHX2MCHR1
SCHEMBL27166200 0.80 NAMPT (0.40) AKR1C3EPHX2TSHRMEN1HPGD

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 AKR1C3 1/4885EPHX2 184/4885MLYCD 837/4885
US-12637471-B2 Heterocyclic compounds, compositions, methods of preparation and uses thereof AKR1C3, AKR1C4, AKR1C2 AKR1C3 1/4885EPHX2 180/4885MLYCD 1077/4885

“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.