SCHEMBL31013446

SCHEMBL31013446

CC(C)(C)OC(=O)N1CCC(=C(C#N)c2cccc(Cl)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STS P08842 3/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GRM5 P41594 3/20 0.42
ESR2 Q92731 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 2/20 0.40
MKNK1 Q9BUB5 1/20 0.40
TP53 P04637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
CYP3A4 P08684 1/20 0.39
NR1H2 P55055 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
SCHEMBL27166187 0.86 MEN1 (0.57) STSMEN1KMT2AGRM5ESR2
SCHEMBL2405534 0.86 KDM4E (0.48) MEN1KMT2AGRM5ESR2
SCHEMBL27166100 0.83 GPR119 (0.44) MEN1KMT2AGRM5ESR2JAK2
SCHEMBL16689787 0.80 KMT2A (0.50) MEN1KMT2AGRM5ESR2SMN1; SMN2
SCHEMBL29205133 0.80 KMT2A (0.47) MEN1KMT2AGRM5POLBMAPT
SCHEMBL27166159 0.79 JAK2 (0.40) MEN1KMT2AESR2SMN1; SMN2JAK2
SCHEMBL25326420 0.79 MEN1 (0.45) MEN1KMT2AGRM5ESR2JAK2
SCHEMBL5383285 0.79 KMT2A (0.43) MEN1KMT2AESR2MKNK1JAK2
SCHEMBL17240217 0.79 RAB9A (0.46) MEN1KMT2AGRM5ESR2POLB
SCHEMBL15265022 0.78 MEN1 (0.66) STSMEN1KMT2APOLB

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 3 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

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 STS 148/4885MEN1 3066/4885KMT2A 3679/4885
US-12637471-B2 Heterocyclic compounds, compositions, methods of preparation and uses thereof AKR1C3, AKR1C4, AKR1C2 STS 146/4885MEN1 3860/4885KMT2A 3376/4885

“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.