SCHEMBL11268

SCHEMBL11268

C#CCCCC(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
PKM P14618 1/20 0.53
HPGD P15428 1/20 0.42
GLS O94925 1/20 0.42
GPR119 Q8TDV5 2/20 0.41
FAAH O00519 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAOB P27338 1/20 0.41
FPR3 P25089 1/20 0.41
FPR2 P25090 1/20 0.41
RECQL P46063 1/20 0.41
EPHX1 P07099 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
TGFBR1 P36897 1/20 0.40
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL6157052 0.84 KDM4E (0.56) KDM4EPKMHPGDGLSGPR119
SCHEMBL7754715 0.84 KDM4E (0.59) KDM4EPKMHPGDGLSGPR119
SCHEMBL7368127 0.82 GPR119 (0.51) KDM4EPKMHPGDGPR119FAAH
SCHEMBL31753301 0.81 GPR119 (0.52) KDM4EPKMHPGDGPR119FAAH
SCHEMBL23499827 0.80 GPR119 (0.53) KDM4EPKMHPGDGPR119FAAH
SCHEMBL3098100 0.80 KDM4E (0.62) KDM4EPKMHPGDGLSGPR119
SCHEMBL14735232 0.80 HPGD (0.52) KDM4EPKMHPGDGPR119FAAH
SCHEMBL7086465 0.80 KDM4E (0.56) KDM4EPKMHPGDGLSGPR119
SCHEMBL11642 0.79 EPHX1 (0.46) EPHX1
SCHEMBL31117959 0.79 KDM4E (0.60) KDM4EPKMHPGDGLSGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118754-A1 COMPOUNDS RESPIVERT LTD. (GB) 2018-05-03 US disclosed
US-20180118754-A1 COMPOUNDS RESPIVERT LTD. (GB) 2018-05-03 US disclosed
US-9834560-B2 Compounds RESPIVERT LTD. (GB) 2017-12-05 US disclosed
US-9834560-B2 Compounds RESPIVERT LTD. (GB) 2017-12-05 US disclosed
US-9834560-B2 Compounds RESPIVERT LTD. (GB) 2017-12-05 US disclosed
US-20160264583-A1 COMPOUNDS RESPIVERT LTD. (GB) 2016-09-15 US disclosed
US-20160264583-A1 COMPOUNDS RESPIVERT LTD. (GB) 2016-09-15 US disclosed
US-9321773-B2 Compounds Respivert, Ltd. (GB) 2016-04-26 US disclosed
US-9321773-B2 Compounds Respivert, Ltd. (GB) 2016-04-26 US disclosed
US-20140249164-A1 COMPOUNDS RESPIVERT LTD (GB) 2014-09-04 US disclosed
US-20140249164-A1 COMPOUNDS RESPIVERT LTD (GB) 2014-09-04 US disclosed
US-8741909-B2 PI3 kinase inhibitors RESPIVERT LTD. (GB) 2014-06-03 US disclosed
US-8741909-B2 PI3 kinase inhibitors RESPIVERT LTD. (GB) 2014-06-03 US disclosed
EP-2491037-B1 QUINAZOLIN-4(3H)-ONE DERIVATIVES USED AS PI3 KINASE INHIBITORS RESPIVERT LTD (GB) 2014-04-30 EP disclosed
US-20120208799-A1 COMPOUNDS RESPIVERT LTD (GB) 2012-08-16 US disclosed
US-20120208799-A1 COMPOUNDS RESPIVERT LTD (GB) 2012-08-16 US disclosed
WO-2011048111-A1 COMPOUNDS RESPIVERT LIMITED (GB) 2011-04-28 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 (4 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-20160264583-A1 COMPOUNDS LTC4S, CYP11B2, LTB4R2 KDM4E 3332/4885PKM 1053/4885HPGD 75/4885
US-20140249164-A1 COMPOUNDS LTC4S, CYP11B2, LTB4R2 KDM4E 3332/4885PKM 1053/4885HPGD 75/4885
US-20120208799-A1 COMPOUNDS LTC4S, CYP11B2, LTB4R2 KDM4E 3332/4885PKM 1053/4885HPGD 75/4885
US-20180118754-A1 COMPOUNDS LTC4S, CYP11B2, LTB4R2 KDM4E 3332/4885PKM 1053/4885HPGD 75/4885

“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.