SCHEMBL4317709

SCHEMBL4317709

CCCC[C@@H]1CN(OCc2ccccc2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
TSHR P16473 1/20 0.41
CYP3A4 P08684 2/20 0.41
GRM2 Q14416 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
PTGS1 P23219 1/20 0.41
RAB9A P51151 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
PREP P48147 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CETP P11597 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
SCHEMBL6474715 1.00 ALDH1A1 (0.44) ALDH1A1TSHRCYP3A4GRM2LMNA
SCHEMBL4314804 1.00 ALDH1A1 (0.44) ALDH1A1TSHRCYP3A4GRM2LMNA
SCHEMBL134600 0.96 ALDH1A1 (0.43) ALDH1A1TSHRGRM2PREPMEN1
SCHEMBL131142 0.96 ALDH1A1 (0.43) ALDH1A1TSHRGRM2PREPMEN1
SCHEMBL27449506 0.93 ALDH1A1 (0.45) ALDH1A1TSHRPREPMEN1KMT2A
SCHEMBL16898052 0.85 ALDH1A1 (0.43) ALDH1A1TSHRPREP
SCHEMBL16898055 0.85 ALDH1A1 (0.43) ALDH1A1TSHRPREP
SCHEMBL3945465 0.83 FAAH (0.41) ALDH1A1PREPKMT2A
SCHEMBL14028930 0.77 ALDH1A1 (0.50) ALDH1A1TSHRGRM2PREPMEN1
SCHEMBL14028937 0.77 ALDH1A1 (0.50) ALDH1A1TSHRGRM2PREPMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901119-B2 Peptide deformylase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2014-12-02 US disclosed
EP-2684039-A2 PEPTIDE DEFORMYLASE INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2014-01-15 EP disclosed
US-20130345120-A1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-12-26 US disclosed
WO-2012122450-A2 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-09-13 WO disclosed
US-7589216-B2 Process for preparing N-hydroxyformamido-propyl pyrrolidin compounds and intermediates NOVARTIS AG (CH) 2009-09-15 US disclosed
US-7589216-B2 Process for preparing N-hydroxyformamido-propyl pyrrolidin compounds and intermediates NOVARTIS AG (CH) 2009-09-15 US disclosed
US-20090131707-A1 CHEMICAL PROCESS FOR THE PREPARATION OF INTERMEDIATES TO OBTAIN N-FORMYL HYDROXYLAMINE COMPOUNDS NOVARTIS AG (CH) 2009-05-21 US disclosed
EP-1542968-B1 PROCESS FOR PREPARING INTERMEDIATES NOVARTIS AG (CH) 2008-12-17 EP disclosed
US-7452999-B2 Chemical process for the preparation of intermediates to obtain N-formyl hydroxy-lamine compounds NOVARTIS AG (CH) 2008-11-18 US disclosed
CN-101092342-A Chemical process for the preparation of intermediates to obtain n-formyl hydroxy-lamine compounds NOVARTIS AG (CH) 2007-12-26 CN disclosed
US-20070179298-A1 Chemical process for the preparation of intermediates to obtain n-formyl hydroxy-lamine compounds NOVARTIS AG (CH) 2007-08-02 US disclosed
CN-1759097-A Chemical process for preparing intermediates for obtaining N-formyl hydroxylamines NOVARTIS AG (CH) 2006-04-12 CN disclosed
EP-1599440-A2 CHEMICAL PROCESS FOR THE PREPARATION OF INTERMEDIATES TO OBTAIN N-FORMYL HYDROXYLAMINE COMPOUNDS Novartis AG (CH) 2005-11-30 EP disclosed
WO-2004076053-A2 CHEMICAL PROCESS FOR THE PREPARATION OF INTERMEDIATES TO OBTAIN N-FORMYL HYDROXYLAMINE COMPOUNDS NOVARTIS AG (CH) 2004-09-10 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 (3 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-20090131707-A1 CHEMICAL PROCESS FOR THE PREPARATION OF INTERMEDIATES TO OBTAIN N-FORMYL HYDROXYLAMINE COMPOUNDS HAO2, HAO1, HAAO ALDH1A1 575/4885TSHR 4081/4885CYP3A4 95/4885
US-20130345120-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, PEPD, VIP ALDH1A1 3642/4885TSHR 3280/4885CYP3A4 4622/4885
US-20070179298-A1 Chemical process for the preparation of intermediates to obtain n-formyl hydroxy-lamine compounds HAO1, LMNA, HAO2 ALDH1A1 765/4885TSHR 4123/4885CYP3A4 480/4885

“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.