SCHEMBL5138861

SCHEMBL5138861

CC(C)COC(C)C(=O)NC1(C(=O)O)CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.33
CXCR2 P25025 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
SLC18A2 Q05940 2/20 0.32
MAPT P10636 1/20 0.31
LPAR1 Q92633 1/20 0.30
PYGL P06737 4/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP2C9 P11712 1/20 0.30
RAB9A P51151 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
SCHEMBL5674430 0.78 SLC18A2 (0.42) CNR2CXCR2KDM4ESLC18A2MAPT
SCHEMBL5110709 0.78 CTSB (0.46) CXCR2LPAR1ALDH1A1CYP2C9
SCHEMBL5101577 0.77 ALDH1A1 (0.36) CNR2CXCR2MAPTPYGLALDH1A1
SCHEMBL5138860 0.74 CYP4F2 (0.36) CNR2CXCR2SLC18A2LPAR1
SCHEMBL5112211 0.72 CNR2 (0.36) CNR2CXCR2ALDH1A1
SCHEMBL10062004 0.72 MME (0.36) CNR2CXCR2KDM4EALDH1A1RAB9A
SCHEMBL9752273 0.72 CYP1A2 (0.35) CXCR2PYGLALDH1A1CYP2C9
SCHEMBL10877742 0.71 MME (0.36) CNR2CXCR2PYGLALDH1A1
SCHEMBL11603247 0.71 MME (0.41) KDM4EMAPT
SCHEMBL10883519 0.71 CXCR2 (0.33) CNR2CXCR2SLC18A2MAPTLPAR1

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
US-7342027-B2 1-phenylpiperidin-3-one derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2008-03-11 US disclosed
US-20050234057-A1 1-Phenylpiperidin-3-one derivatives and processes for the preparation thereof DONG-A PHARMACEUTICAL CO., LTD. (KR) 2005-10-20 US disclosed
WO-2004011457-A1 1-PHENYLPIPERIDIN-3-ONE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2004-02-05 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-20050234057-A1 1-Phenylpiperidin-3-one derivatives and processes for the preparation thereof CTRL, PRCP, CLPP CNR2 4135/4885CXCR2 2548/4885KDM4E 2744/4885

“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.