SCHEMBL7368481

SCHEMBL7368481

COC(=O)c1cc(OCC2CCN(C(=O)OC(C)(C)C)CC2)no1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.45
SLC2A1 P11166 1/20 0.44
GPR119 Q8TDV5 11/20 0.44
PKM P14618 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HDAC1 Q13547 1/20 0.43
USP30 Q70CQ3 1/20 0.43
CHEK2 O96017 1/20 0.42

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
SCHEMBL7447685 0.91 SCN9A (0.47) FAAHGPR119PKMKDM4EUSP30
SCHEMBL7450118 0.90 GPR119 (0.51) FAAHGPR119
SCHEMBL7372143 0.89 FAAH (0.46) FAAHSLC2A1GPR119PKMKDM4E
SCHEMBL7450033 0.89 GPR119 (0.52) FAAHGPR119
SCHEMBL24208480 0.84 PKM (0.46) FAAHGPR119PKMKDM4EUSP30
SCHEMBL28600592 0.82 F2RL3 (0.42) GPR119USP30
SCHEMBL28600591 0.82 F2RL3 (0.42) GPR119USP30
SCHEMBL28917974 0.82 F2RL3 (0.42) GPR119USP30
SCHEMBL24756985 0.81 KDM4E (0.42) FAAHSLC2A1GPR119PKMKDM4E
SCHEMBL25893316 0.81 FAAH (0.45) FAAHSLC2A1GPR119PKMKDM4E

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 7 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
EP-2006286-A9 ISOXAZOLE DERIVATIVE AND ISOTHIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON 11 BETA -HYDROXYSTEROID DEHYDROGENASE TYPE I Shionogi Co., Ltd. (JP) 2009-07-22 EP 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
EP-2006286-A2 ISOXAZOLE DERIVATIVE AND ISOTHIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON 11 BETA -HYDROXYSTEROID DEHYDROGENASE TYPE I Shionogi Co., Ltd. (JP) 2008-12-24 EP disclosed
US-5691329-A Compounds containing basic and acidic termini useful as fibrinogen receptor antagonists THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-11-25 US disclosed
US-5563158-A CARDIOVASCULAR DISORDERS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-10-08 US disclosed
WO-1995018111-A1 COMPOUNDS CONTAINING BASIC AND ACIDIC TERMINI USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-07-06 WO 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 FAAH 3873/4885SLC2A1 2199/4885GPR119 125/4885

“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.