SCHEMBL12335992

SCHEMBL12335992

CCC(C)(C)CC(=O)N1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
CHKA P35790 1/20 0.38
HPGD P15428 1/20 0.38
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
CHRNB3 Q05901 1/20 0.37
CHRNA6 Q15825 1/20 0.37
GNAI3 P08754 4/20 0.37
GNAO1 P09471 4/20 0.37
GNAI1 P63096 4/20 0.37
SIGMAR1 Q99720 2/20 0.36
DDB1 Q16531 1/20 0.36

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
SCHEMBL21016157 0.87 GAA (0.40) GAACA2CA12CA1CA9
SCHEMBL1829291 0.82 CA2 (0.43) GAACA2CA12CA1CA9
SCHEMBL12335994 0.82 L3MBTL1 (0.47) GAAKMT2A
SCHEMBL19176972 0.82 L3MBTL1 (0.42) GAAKMT2A
SCHEMBL12335991 0.81 L3MBTL1 (0.48) GAAKMT2A
SCHEMBL12583186 0.81 GAA (0.42) GAACA2CA12CA1CA9
SCHEMBL24528879 0.81 GAA (0.38) GAACA2CA12CA1CA9
SCHEMBL12308783 0.81 GAA (0.38) GAACA2CA12CA1CA9
SCHEMBL22248571 0.79 GAA (0.41) GAACA2CA12CA1CA9
Hydrochloric Acid SCHEMBL29165308 0.79 HPGD (0.42) GAACA2CA12CA1CA9

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
WO-2013131018-A1 BIARYL INHIBITORS OF THE SODIUM CHANNEL ZALICUS PHARMACEUTICALS LTD. (US) 2013-09-06 WO disclosed
US-8017638-B2 Isoxazole derivative and isothiazole derivative having inhibitory activity on 11β-hydroxysteroid dehydrogenase type 1 SHIONOGI & CO., LTD. (JP) 2011-09-13 US disclosed
US-20090131491-A1 ISOXAZOLE DERIVATIVE AND ISOTHIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON 11(beta)-HYDROXYSTEROID DEHYDROGENASE TYPE I SHIONOGI & CO., LTD. (JP) 2009-05-21 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 (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-20090131491-A1 ISOXAZOLE DERIVATIVE AND ISOTHIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON 11(beta)-HYDROXYSTEROID DEHYDROGENASE TYPE I HSD3B1, NR5A1, HSD11B1 GAA 3957/4885CA2 2864/4885CA12 4200/4885

“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.