SCHEMBL2504492

SCHEMBL2504492

CC(C)(C)OC(=O)N1CCN(c2c(F)cc(N3C(=O)OCC3CNC(=O)C=Cc3ccccc3)cc2F)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
ABCB1 P08183 4/20 0.37
HDAC1 Q13547 1/20 0.37
F13A1 P00488 1/20 0.36
TGM2 P21980 1/20 0.36
TGM1 P22735 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
MAOA P21397 2/20 0.36
CCR4 P51679 1/20 0.36
MAOB P27338 1/20 0.36
MAPT P10636 2/20 0.35
KDM1A O60341 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL2452755 0.85 MAOA (0.40) F13A1TGM2TGM1GPR119MAOA
SCHEMBL2479908 0.85 MAOB (0.48) MAOAMAOB
SCHEMBL2503392 0.85 GPR119 (0.37) KDM4EPKMF13A1TGM2TGM1
SCHEMBL2480116 0.83 ALDH1A1 (0.37) KDM4EGPR119MAPT
SCHEMBL2486343 0.82 GPR119 (0.37) F13A1TGM2TGM1GPR119
SCHEMBL2507043 0.81 GPR119 (0.41) KDM4EGPR119MAPT
SCHEMBL2480377 0.80 GPR119 (0.40) KDM4EGPR119MAOAMAPT
SCHEMBL2499942 0.79 GPR119 (0.39) F13A1TGM2TGM1GPR119
SCHEMBL2504488 0.79 ABCB1 (0.40) ABCB1HDAC1GPR119MAPT
SCHEMBL2498576 0.77 HPGD (0.39) KDM4EGPR119MAPT

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-8841306-B2 Antimicrobials PANACEA BIOTEC LTD. (IN) 2014-09-23 US disclosed
US-20110245258-A1 NOVEL ANTIMICROBIALS PANACEA BIOTEC LTD. (IN) 2011-10-06 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-20110245258-A1 NOVEL ANTIMICROBIALS ECI1, XDH, CYP3A4 KDM4E 4158/4885PKM 382/4885ABCB1 448/4885

“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.