SCHEMBL698234

SCHEMBL698234

NNC(=O)C1CC2C=CCC(C2)C1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABAT P80404 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL1848855 0.78 ABAT (0.46) ABAT
SCHEMBL698732 0.78 ABAT (0.46) ABAT
SCHEMBL20201900 0.78 ABAT (0.46) ABAT
SCHEMBL698731 0.78 ABAT (0.46) ABAT
SCHEMBL15466878 0.78 ABAT (0.46) ABAT
SCHEMBL14791315 0.78 ABAT (0.46) ABAT
SCHEMBL19860333 0.78 ABAT (0.46) ABAT
SCHEMBL375674 0.72
SCHEMBL7866800 0.70 ALDH1A1 (0.39) ALDH1A1
SCHEMBL14211851 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423212-B1 PROCESS FOR PRODUCTION OF 2-AZAADAMANTANE COMPOUND FROM BICYCLOCARBAMATE COMPOUND NISSAN CHEMICAL IND LTD (JP) 2016-06-01 EP disclosed
US-8329909-B2 Method for producing 2-azaadamantane compound from bicyclocarbamate compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-12-11 US disclosed
US-20120053348-A1 METHOD FOR PRODUCING 2-AZAADAMANTANE COMPOUND FROM BICYCLOCARBAMATE COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-03-01 US disclosed
EP-2423212-A1 PROCESS FOR PRODUCTION OF 2-AZAADAMANTANE COMPOUND FROM BICYCLOCARBAMATE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2012-02-29 EP 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-20120053348-A1 METHOD FOR PRODUCING 2-AZAADAMANTANE COMPOUND FROM BICYCLOCARBAMATE COMPOUND CNKSR1, HDAC11, HDAC1 ABAT 262/4885ALDH1A1 1235/4885

“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.