SCHEMBL3125309

SCHEMBL3125309

CCOC(=O)CNC(=O)N1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.50
POLB P06746 2/20 0.50
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.43
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
PRKCA P17252 1/20 0.41
GSK3B P49841 1/20 0.41
ABL1 P00519 1/20 0.41
MAPT P10636 1/20 0.41
RIN1 Q13671 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL10053026 0.85 GAA (0.49) POLBKDM4EL3MBTL1GAAKMT2A
SCHEMBL1575252 0.84 POLB (0.47) CHRM1POLBKDM4EALDH1A1L3MBTL1
SCHEMBL1576057 0.84 POLB (0.47) CHRM1POLBKDM4EALDH1A1L3MBTL1
SCHEMBL6663096 0.83 KMT2A (0.47) POLBKDM4EL3MBTL1GAAKMT2A
SCHEMBL21250737 0.83 ALDH1A1 (0.46) CHRM1POLBALDH1A1NPC1RAB9A
SCHEMBL23969235 0.82 KMT2A (0.41) CHRM1POLBKDM4EALDH1A1NPC1
SCHEMBL8429445 0.82 POLB (0.46) CHRM1POLBKDM4EALDH1A1NPC1
SCHEMBL1575304 0.82 POLB (0.45) CHRM1POLBKDM4EALDH1A1L3MBTL1
SCHEMBL8254511 0.80 L3MBTL1 (0.43) CHRM1POLBKDM4EALDH1A1L3MBTL1
SCHEMBL32660743 0.80 EPHX2 (0.47) POLBKDM4EALDH1A1SMN1; SMN2GAA

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-3427738-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2021-12-01 EP disclosed
EP-3141252-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Inc. (US) 2017-03-15 EP disclosed
US-9518056-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-13 US disclosed
US-9345708-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-05-24 US disclosed
US-8829007-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-09 US disclosed
US-8476285-B2 Purine-core inhibitors of HSP90 and their use in treating cancer MYREXIS, INC. (US) 2013-07-02 US disclosed
EP-2397462-A2 Compounds, compositions and methods of treatment for heart failure Cytokinetics, Inc. (US) 2011-12-21 EP disclosed
US-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2010-01-21 US disclosed
US-7595401-B2 Therapeutic compounds and their use in cancer MYRIAD PHARMACEUTICALS, INC. (US) 2009-09-29 US disclosed
US-20070299258-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2007-12-27 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 (2 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-20070299258-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MCL1, TP53, TUBB3 CHRM1 4855/4885POLB 1432/4885KDM4E 2330/4885
US-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MCL1, TP53, TUBB3 CHRM1 4855/4885POLB 1432/4885KDM4E 2330/4885

“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.