SCHEMBL12308752

SCHEMBL12308752

CCC(CC)(CC(C)C)C(=O)NC1CCNC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.40
▸ ACSS2 Q9NR19 2/20 0.36
▸ EPHX1 P07099 3/20 0.35
▸ GNAI3 P08754 1/20 0.35
▸ GNAO1 P09471 1/20 0.35
▸ GNAI1 P63096 1/20 0.35
▸ TLR9 Q9NR96 2/20 0.34
▸ TLR8 Q9NR97 2/20 0.34
▸ TLR7 Q9NYK1 2/20 0.34
▸ KDM1A O60341 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ SSTR1 P30872 1/20 0.32
▸ SSTR4 P31391 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ CCR2 P41597 1/20 0.32
▸ HDAC4 P56524 1/20 0.31
▸ MAPK1 P28482 1/20 0.30
▸ OPRK1 P41145 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
SCHEMBL12308375 0.91 EPHX1 (0.44) ACSS2EPHX1GNAI3GNAO1GNAI1
SCHEMBL12334950 0.88 KCNH2 (0.47) KCNH2ACSS2EPHX1GNAI3GNAO1
SCHEMBL12308620 0.82 SSTR4 (0.41) KCNH2ACSS2EPHX1GNAI3GNAO1
SCHEMBL12308685 0.81 KCNH2 (0.38) KCNH2EPHX1TLR9TLR8TLR7
SCHEMBL12334720 0.78 EPHX1 (0.53) KCNH2ACSS2EPHX1GNAI3GNAO1
SCHEMBL12335984 0.76 KCNH2 (0.44) KCNH2ACSS2EPHX1GNAI3GNAO1
SCHEMBL12308802 0.74 HSD11B1 (0.40) KCNH2EPHX1GNAI3GNAO1GNAI1
SCHEMBL382773 0.73 EPHX1 (0.45) KCNH2EPHX1GNAI3GNAO1GNAI1
SCHEMBL5873642 0.73 EPHX1 (0.45) KCNH2EPHX1GNAI3GNAO1GNAI1
SCHEMBL12207206 0.73 EPHX1 (0.45) KCNH2EPHX1GNAI3GNAO1GNAI1

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 KCNH2 1745/4885ACSS2 873/4885EPHX1 1338/4885

“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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