SCHEMBL12334716

SCHEMBL12334716

CCC(C)(C)C(=O)N1CCC(N)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GNAI3 P08754 1/20 0.46
▸ GNAO1 P09471 1/20 0.46
▸ GNAI1 P63096 1/20 0.46
▸ RIPK1 Q13546 6/20 0.43
▸ CHRM2 P08172 2/20 0.40
▸ CHRM1 P11229 2/20 0.40
▸ CHRM3 P20309 2/20 0.40
▸ ITGB3 P05106 2/20 0.35
▸ ITGA2B P08514 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ DPP4 P27487 3/20 0.34
▸ DPP8 Q6V1X1 1/20 0.34
▸ DPP9 Q86TI2 1/20 0.34
▸ FKBP1A P62942 2/20 0.34

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
SCHEMBL12335245 0.91 RIPK1 (0.42) GNAI3GNAO1GNAI1RIPK1GAA
SCHEMBL19502931 0.85 GNAI3 (0.42) GNAI3GNAO1GNAI1RIPK1CHRM2
SCHEMBL12334719 0.83 GNAI3 (0.47) GNAI3GNAO1GNAI1CHRM2CHRM1
SCHEMBL25446906 0.83 ALDH1A1 (0.48) RIPK1GAA
SCHEMBL14892058 0.83 RIPK1 (0.44) RIPK1DPP4FKBP1A
SCHEMBL12308371 0.81 GNAI3 (0.40) GNAI3GNAO1GNAI1CHRM2CHRM1
SCHEMBL16368633 0.80 CHRM2 (0.44) GNAI3GNAO1GNAI1RIPK1CHRM2
SCHEMBL25581268 0.80 RIPK1 (0.42) RIPK1DPP4DPP8DPP9
SCHEMBL8237515 0.80 LMNA (0.53) RIPK1GAA
SCHEMBL12334755 0.80 GNAI3 (0.45) GNAI3GNAO1GNAI1CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GNAI3 1042/4885GNAO1 512/4885GNAI1 797/4885

“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.

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