SCHEMBL12334720

SCHEMBL12334720

CCC(CC)(CC)C(=O)NC1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 5/20 0.53
▸ GNAI3 P08754 3/20 0.49
▸ GNAO1 P09471 3/20 0.49
▸ GNAI1 P63096 3/20 0.49
▸ POLB P06746 1/20 0.48
▸ SSTR1 P30872 1/20 0.43
▸ SSTR4 P31391 1/20 0.43
▸ CHRM3 P20309 2/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ PDK1 Q15118 1/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ PDK3 Q15120 1/20 0.39
▸ PDK4 Q16654 1/20 0.39
▸ SMYD3 Q9H7B4 2/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ ACSS2 Q9NR19 1/20 0.37
▸ SIGMAR1 Q99720 2/20 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
SCHEMBL12334950 0.89 KCNH2 (0.47) EPHX1GNAI3GNAO1GNAI1POLB
SCHEMBL12308375 0.87 EPHX1 (0.44) EPHX1GNAI3GNAO1GNAI1POLB
SCHEMBL12334726 0.84 EPHX1 (0.52) EPHX1GNAI3GNAO1GNAI1POLB
SCHEMBL6697632 0.79 EPHX1 (0.59) EPHX1GNAI3GNAO1GNAI1POLB
SCHEMBL12308752 0.78 KCNH2 (0.40) EPHX1GNAI3GNAO1GNAI1POLB
SCHEMBL15447615 0.77 EPHX1 (0.57) EPHX1GNAI3GNAO1GNAI1POLB
SCHEMBL27934941 0.77 CHRM1 (0.51) EPHX1GNAI3GNAO1GNAI1SSTR1
SCHEMBL617591 0.75 GNAI3 (0.62) EPHX1GNAI3GNAO1GNAI1POLB
SCHEMBL4374405 0.75 EPHX1 (0.59) EPHX1GNAI3GNAO1GNAI1POLB
SCHEMBL12336001 0.74 GNAI3 (0.53) EPHX1GNAI3GNAO1GNAI1POLB

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 EPHX1 1338/4885GNAI3 1042/4885GNAO1 512/4885

“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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