SCHEMBL448339

SCHEMBL448339

CCOC(=O)C1(CCCc2c(Cl)cnc3ccc(OC)cc23)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.42
SLC2A1 P11166 1/20 0.41
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
POLB P06746 4/20 0.41
LMNA P02545 1/20 0.39
P4HB P07237 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PKM P14618 1/20 0.38

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
SCHEMBL5706799 0.91 SLC2A1 (0.44) SLC2A1
SCHEMBL6147587 0.91 SLC2A1 (0.48) ALDH1A1SLC2A1MEN1KMT2APOLB
SCHEMBL6145300 0.91 KCNH2 (0.45) ALDH1A1SLC2A1MEN1KMT2APOLB
SCHEMBL6149475 0.89 ALDH1A1 (0.41) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL6145877 0.86 SLC2A1 (0.42) SLC2A1
SCHEMBL6143755 0.85 MEN1 (0.52) ALDH1A1MEN1KMT2APOLBP4HB
SCHEMBL6143468 0.85 MEN1 (0.46) ALDH1A1MEN1KMT2APOLBP4HB
SCHEMBL6143336 0.84 SLC2A1 (0.40) SLC2A1
SCHEMBL6143396 0.84 SLC2A1 (0.40) SLC2A1
SCHEMBL445305 0.83 MAPT (0.40) ALDH1A1SLC2A1MEN1KMT2APOLB

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2481735-A1 Substituted heterocyclic derivatives and compositions and their pharmaceutical use as antibacterials Pfizer Inc. (US) 2012-08-01 EP disclosed
US-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2012-03-15 US disclosed
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions PFIZER INC. 2011-04-21 US disclosed
EP-2155716-A2 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND COMPOSITIONS AND THEIR PHARMACEUTICAL USE AS ANTIBACTERIALS Pfizer Inc. (US) 2010-02-24 EP disclosed
WO-2008139288-A2 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND COMPOSITIONS AND THEIR PHARMACEUTICAL USE AS ANTIBACTERIALS PFIZER INC. (US) 2008-11-20 WO disclosed
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2008-11-13 US disclosed
US-6903217-B2 Heterocyclylalkylpiperidine derivatives, their preparation and compositions containing them AVENTIS PHARMA S.A. (FR) 2005-06-07 US disclosed
US-20040147518-A1 Heterocyclylalkylpiperidine derivatives, their preparation and compositions containing them AVENTIS PHARMA S.A. 2004-07-29 US disclosed
US-6603005-B2 Bactericides AVENTIS PHARMA S.A. (FR) 2003-08-05 US disclosed
US-20020111492-A1 Heterocyclylalkylpiperidine derivatives, their preparation and compositions containing them NOVEXEL (FR) 2002-08-15 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 (5 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-20040147518-A1 Heterocyclylalkylpiperidine derivatives, their preparation and compositions containing them SYNJ1, NCAPD2, SYNJ2 ALDH1A1 838/4885SLC2A1 4311/4885MEN1 250/4885
US-20020111492-A1 Heterocyclylalkylpiperidine derivatives, their preparation and compositions containing them SYNJ1, NCAPD2, SYNJ2 ALDH1A1 838/4885SLC2A1 4311/4885MEN1 250/4885
US-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 ALDH1A1 3777/4885SLC2A1 4192/4885MEN1 540/4885
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 ALDH1A1 3777/4885SLC2A1 4192/4885MEN1 540/4885
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions XDH, CYP2D6, F12 ALDH1A1 3777/4885SLC2A1 4192/4885MEN1 540/4885

“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.