SCHEMBL155479

SCHEMBL155479

O=C(N1CCOCC1)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
MAPT P10636 4/20 0.45
KMT2A Q03164 3/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
S1PR3 Q99500 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
SCHEMBL4375383 0.82 MAPT (0.50) ALDH1A1MAPTKMT2APOLBMEN1
SCHEMBL132456 0.78 MAPT (0.41) ALDH1A1MAPTKMT2AMEN1TP53
SCHEMBL6800997 0.77 MAPT (0.41) ALDH1A1MAPTKMT2APOLBMEN1
SCHEMBL2667242 0.77 KMT2A (0.47) ALDH1A1MAPTKMT2APOLBMEN1
SCHEMBL5362163 0.73 ALDH1A1 (0.43) ALDH1A1MAPTKMT2APOLBTP53
SCHEMBL19444603 0.73 ALDH1A1 (0.45) ALDH1A1MAPTKMT2APOLBMEN1
SCHEMBL12323192 0.71 POLB (0.54) ALDH1A1MAPTKMT2APOLBMEN1
SCHEMBL11184712 0.71 ALDH1A1 (0.72) ALDH1A1KMT2APOLBMEN1SMN1; SMN2
SCHEMBL2606412 0.69 S1PR3 (0.47) KMT2AMEN1NPSR1KDM4ELMNA
SCHEMBL20405434 0.68 ALDH1A1 (0.61) ALDH1A1KMT2APOLBMEN1SMN1; SMN2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3020720-B1 PHOSPHONATE ESTER DERIVATIVES AND METHODS OF SYNTHESIS THEREOF CHIMERIX INC (US) 2018-09-19 EP disclosed
US-20170333459-A1 METHODS OF TREATING ORTHOPOX VIRUS INFECTIONS AND ASSOCIATED DISEASES CHIMERIX, INC. 2017-11-23 US disclosed
EP-2611818-B1 PHOSPHONATE ESTER DERIVATIVES AND METHODS OF SYNTHESIS THEREOF CHIMERIX INC (US) 2016-08-24 EP disclosed
EP-3020720-A1 PHOSPHONATE ESTER DERIVATIVES AND METHODS OF SYNTHESIS THEREOF Chimerix, Inc. (US) 2016-05-18 EP disclosed
US-9303051-B2 Phosphonate ester derivatives and methods of synthesis thereof CHIMERIX INC. (US) 2016-04-05 US disclosed
US-20150329575-A1 PHOSPHONATE ESTER DERIVATIVES AND METHODS OF SYNTHESIS THEREOF EMERGENT BIODEFENSE OPERATIONS LANSING LLC 2015-11-19 US disclosed
US-20150141375-A1 Methods of Treating Viral Associated Diseases CHIMERIX, INC. 2015-05-21 US disclosed
US-20140121186-A1 Compounds, Compositions and Methods for Treating Ocular Conditions CHIMERIX, INC. (US) 2014-05-01 US disclosed
US-20140046085-A1 Phosphonate Ester Derivatives and Methods of Synthesis Thereof CHIMERIX, INC. (US) 2014-02-13 US disclosed
US-8614200-B2 Compounds, compositions and methods for treating ocular conditions CHIMERIX, INC. (US) 2013-12-24 US disclosed
US-20120164104-A1 Composition and Methods of Treating Viral Infections and Viral Induced Tumors CHIMERIX, INC. (US) 2012-06-28 US disclosed
US-20120165295-A1 Compounds, Compositions and Methods for Treating Ocular Conditions CHIMERIX, INC. (US) 2012-06-28 US disclosed
EP-2462152-A1 COMPOSITION AND METHODS OF TREATING VIRAL INFECTIONS AND VIRAL INDUCED TUMORS Chimerix, Inc. (US) 2012-06-13 EP disclosed
WO-2012031045-A2 PHOSPHONATE ESTER DERIVATIVES AND METHODS OF SYNTHESIS THEREOF CHIMERIX, INC. (US) 2012-03-08 WO disclosed
US-20120058976-A1 Phosphonate Ester Derivatives and Methods of Synthesis Thereof CHIMERIX, INC. (US) 2012-03-08 US disclosed
US-20110263536-A1 Methods of Treating Orthopox Virus Infections and Associated Diseases CHIMERIX, INC. (US) 2011-10-27 US disclosed
WO-2011053812-A1 METHODS OF TREATING VIRAL ASSOCIATED DISEASES CHIMERIX, INC. (US) 2011-05-05 WO disclosed
WO-2011017253-A1 COMPOSITION AND METHODS OF TREATING VIRAL INFECTIONS AND VIRAL INDUCED TUMORS CHIMERIX, INC. (US) 2011-02-10 WO disclosed
WO-2011011519-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OCULAR CONDITIONS CHIMERIX, INC. (US) 2011-01-27 WO disclosed
US-5449528-A Acid salt of guanidine derivative HUELS AKTIENGESELLSCHAFT (DE) 1995-09-12 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 (9 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-20140121186-A1 Compounds, Compositions and Methods for Treating Ocular Conditions EYA3, EYA2, PDE6C ALDH1A1 1123/4885MAPT 1084/4885KMT2A 3736/4885
US-20120058976-A1 Phosphonate Ester Derivatives and Methods of Synthesis Thereof PHOSPHO1, PIK3CA, PNP ALDH1A1 2151/4885MAPT 3413/4885KMT2A 2791/4885
US-20140046085-A1 Phosphonate Ester Derivatives and Methods of Synthesis Thereof PHOSPHO1, PIK3CA, PNP ALDH1A1 2151/4885MAPT 3413/4885KMT2A 2791/4885
US-20120165295-A1 Compounds, Compositions and Methods for Treating Ocular Conditions EYA3, EYA2, PDE6C ALDH1A1 1123/4885MAPT 1084/4885KMT2A 3736/4885
US-20110263536-A1 Methods of Treating Orthopox Virus Infections and Associated Diseases OAT, PNPO, OTC ALDH1A1 2374/4885MAPT 3066/4885KMT2A 3252/4885
US-20150329575-A1 PHOSPHONATE ESTER DERIVATIVES AND METHODS OF SYNTHESIS THEREOF PHOSPHO1, PIK3CA, PNP ALDH1A1 2151/4885MAPT 3413/4885KMT2A 2791/4885
US-20170333459-A1 METHODS OF TREATING ORTHOPOX VIRUS INFECTIONS AND ASSOCIATED DISEASES OAT, PNPO, OTC ALDH1A1 2374/4885MAPT 3066/4885KMT2A 3252/4885
US-20150141375-A1 Methods of Treating Viral Associated Diseases HAVCR2, EIF2AK2, TSLP ALDH1A1 1045/4885MAPT 2800/4885KMT2A 2392/4885
US-20120164104-A1 Composition and Methods of Treating Viral Infections and Viral Induced Tumors HAVCR2, IRF3, CCL5 ALDH1A1 2448/4885MAPT 2908/4885KMT2A 2761/4885

“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.