SCHEMBL3948879

SCHEMBL3948879

CN1CCC(CCC=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.46
ACHE P22303 7/20 0.44
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
HRH4 Q9H3N8 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
F2R P25116 1/20 0.32
HTR4 Q13639 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL3956370 0.88 NCF1 (0.43) NCF1ACHEGNAI3GNAO1GNAI1
SCHEMBL3956166 0.80 GNAO1 (0.41) GNAI3GNAO1GNAI1HRH3HTR4
SCHEMBL3950352 0.79 SMN1; SMN2 (0.41) GNAO1HRH3ALDH1A1HTR4
SCHEMBL1851883 0.78 NCF1 (0.46) NCF1ACHEGNAI3GNAO1GNAI1
SCHEMBL24319800 0.78 NCF1 (0.62) NCF1ACHEGNAI3GNAO1GNAI1
SCHEMBL98083 0.78
SCHEMBL3947826 0.78 NCF1 (0.42) NCF1ACHEGNAI3GNAO1GNAI1
SCHEMBL1275989 0.77 NCF1 (0.50) NCF1ACHEGNAI3GNAO1GNAI1
SCHEMBL3956282 0.76 SLC18A3 (0.39) ACHEHRH3ALDH1A1
SCHEMBL3950205 0.76 EPHX2 (0.39) GNAI3GNAO1GNAI1CYP1A2

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-20170275275-A1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS PFIZER (US) 2017-09-28 US disclosed
CN-101679410-B 2-[(2-substituted)-ind0lizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD 2013-11-27 CN disclosed
WO-2009024825-A1 2-PYRAZINYLBENZIMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 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 (1 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-20170275275-A1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS SCN7A, SCN1A, SCN2B NCF1 3178/4885ACHE 569/4885GNAI3 866/4885

“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.