SCHEMBL27166199

SCHEMBL27166199

N#CC(=C1CCN(C(=O)N2CCn3nncc3C2)CC1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 2/20 0.45
NAMPT P43490 1/20 0.37
HRH3 Q9Y5N1 3/20 0.34
HSD11B1 P28845 1/20 0.34
PANK3 Q9H999 1/20 0.34
EPHX2 P34913 2/20 0.33
MGLL Q99685 1/20 0.33
TIPARP Q7Z3E1 1/20 0.33
ENPP2 Q13822 1/20 0.33
ATXN2 Q99700 1/20 0.33
F2R P25116 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
MAPK8 P45983 1/20 0.32
MAPK10 P53779 1/20 0.32
HTR2B P41595 1/20 0.32
PREP P48147 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL27166090 0.88 NAMPT (0.38) PROKR1NAMPTHSD11B1EPHX2MGLL
SCHEMBL27166028 0.87 NAMPT (0.48) PROKR1NAMPT
SCHEMBL29205134 0.84 PROKR1 (0.45) PROKR1NAMPTHRH3HSD11B1PANK3
SCHEMBL27166143 0.82 PROKR1 (0.45) PROKR1HRH3HSD11B1PANK3EPHX2
SCHEMBL27166123 0.79 PKM (0.40) NAMPT
SCHEMBL30057055 0.79 PKM (0.40) NAMPT
SCHEMBL27166157 0.78 PROKR1 (0.49) PROKR1NAMPTHRH3HSD11B1EPHX2
SCHEMBL27166133 0.78 PROKR1 (0.49) PROKR1HSD11B1EPHX2MGLLF2R
SCHEMBL27166178 0.77 PROKR1 (0.46) PROKR1NAMPTHRH3HSD11B1PANK3
SCHEMBL27166111 0.77 PROKR1 (0.54) PROKR1HRH3HSD11B1PANK3EPHX2

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 PROKR1 1639/4885NAMPT 602/4885HRH3 2429/4885
US-12637471-B2 Heterocyclic compounds, compositions, methods of preparation and uses thereof AKR1C3, AKR1C4, AKR1C2 PROKR1 1682/4885NAMPT 2385/4885HRH3 2504/4885

“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.