SCHEMBL22686540

SCHEMBL22686540

NC(=O)NC1CCC(N)CC1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 17/20 0.46
EPHX2 P34913 1/20 0.41
ROCK2 O75116 1/20 0.40
MMP2 P08253 1/20 0.39
MMP8 P22894 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
SCHEMBL687674 0.89
SCHEMBL11043155 0.89 EPHX2 (0.48) EPHX2MMP2MMP8
SCHEMBL11043150 0.89 EPHX2 (0.48) EPHX2MMP2MMP8
Hydrochloric Acid SCHEMBL14917782 0.87
SCHEMBL16437081 0.86 SMYD3 (0.36) SMYD3EPHX2ROCK2MMP2MMP8
SCHEMBL16437117 0.86 SMYD3 (0.36) SMYD3EPHX2ROCK2MMP2MMP8
SCHEMBL23735494 0.82 EPHX2 (0.61) EPHX2MMP2MMP8
SCHEMBL1412068 0.82 EPHX2 (0.61) SMYD3EPHX2
SCHEMBL9003889 0.82 EPHX2 (0.61) SMYD3EPHX2
Cyclohexylamine SCHEMBL27893155 0.81 EPHX1 (0.50) EPHX2MMP2MMP8

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117887060-A Amine polyether polyol and preparation method thereof 山东一诺威新材料有限公司 2024-04-16 CN claimed
CN-117887060-A Amine polyether polyol and preparation method thereof 山东一诺威新材料有限公司 2024-04-16 CN disclosed
US-11548850-B2 Development of a cofilin inhibitor for the treatment of hemorrhagic brain injury-induced neuroinflammation THE UNIVERSITY OF TOLEDO (US) 2023-01-10 US disclosed
US-20200369603-A1 Development of a Cofilin Inhibitor for the Treatment of Hemorrhagic Brain Injury-Induced Neuroinflammation THE UNIVERSITY OF TOLEDO (US) 2020-11-26 US disclosed
US-20200369603-A1 Development of a Cofilin Inhibitor for the Treatment of Hemorrhagic Brain Injury-Induced Neuroinflammation THE UNIVERSITY OF TOLEDO (US) 2020-11-26 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-20200369603-A1 Development of a Cofilin Inhibitor for the Treatment of Hemorrhagic Brain Injury-Induced Neuroinflammation CFL1, NFKBIA, LIMA1 SMYD3 2332/4885EPHX2 2447/4885ROCK2 12/4885
US-11548850-B2 Development of a cofilin inhibitor for the treatment of hemorrhagic brain injury-induced neuroinflammation CFL1, NFKBIA, LIMA1 SMYD3 2332/4885EPHX2 2447/4885ROCK2 12/4885

“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.