SCHEMBL1282238

SCHEMBL1282238

CCOC(=O)C1(C)CCN(c2ncc(Br)cn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.39
OPRK1 P41145 4/20 0.39
OPRD1 P41143 3/20 0.39
SLC22A1 O15245 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
KCNH2 Q12809 1/20 0.39
CXCR3 P49682 1/20 0.38
PANK3 Q9H999 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL1282645 0.87 OPRM1 (0.39) OPRM1OPRK1OPRD1SLC22A1SLC6A4
SCHEMBL1282256 0.86 ALDH1A1 (0.40) OPRM1OPRK1OPRD1SLC22A1SLC6A4
SCHEMBL1282035 0.86 OPRM1 (0.38) OPRM1OPRK1OPRD1SLC22A1SLC6A4
SCHEMBL1708664 0.85 CYP3A4 (0.44) OPRK1CXCR3PANK3HSD17B10
SCHEMBL28247431 0.85 CYP3A4 (0.50) OPRM1OPRK1OPRD1SLC22A1SLC6A4
SCHEMBL15415179 0.85 OPRM1 (0.37) OPRM1OPRK1OPRD1SLC22A1SLC6A4
SCHEMBL1281858 0.85 KDM4E (0.38) OPRM1OPRK1OPRD1SLC22A1SLC6A4
SCHEMBL1282673 0.84 OPRM1 (0.36) OPRM1OPRK1OPRD1SLC22A1SLC6A4
SCHEMBL1282057 0.83 CYP3A4 (0.40) OPRM1OPRK1OPRD1SLC22A1SLC6A4
SCHEMBL1282416 0.83 KDM4E (0.36) OPRM1OPRK1OPRD1SLC22A1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170260178-A1 ANTIBACTERIAL COMPOUNDS SPERO GYRASE INC (US) 2017-09-14 US disclosed
EP-2828257-B1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD (GB) 2017-07-26 EP disclosed
US-9604976-B2 Antibacterial compounds SPERO GYRASE, INC. (US) 2017-03-28 US disclosed
US-20150329530-A1 ANTIBACTERIAL COMPUNDS SPERO GYRASE, INC. 2015-11-19 US disclosed
US-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US disclosed
US-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US disclosed
US-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US disclosed
EP-2828257-A1 ANTIBACTERIAL COMPOUNDS Biota Europe Ltd (GB) 2015-01-28 EP disclosed
US-8906902-B2 Antibacterial compounds BIOTA EUROPE LIMITED (GB) 2014-12-09 US disclosed
US-20130252938-A1 Antibacterial Compounds BIOTA EUROPE LTD. (GB) 2013-09-26 US disclosed
WO-2013138860-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LIMITED (GB) 2013-09-26 WO disclosed
EP-2625178-A1 BACTERIA TOPOISOMERASE II INHIBITING 2-ETHYLCARBAMOYLAMINO-1, 3-BENZOTHIAZOL-5-YLS Biota Europe Ltd (GB) 2013-08-14 EP disclosed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 US disclosed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 US disclosed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 US disclosed
WO-2012045124-A1 BACTERIA TOPOISOMERASE II INHIBITING 2-ETHYLCARBAMOYLAMINO-1, 3-BENZOTHIAZOL-5-YLS BIOTA EUROPE LTD (GB) 2012-04-12 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-20170260178-A1 ANTIBACTERIAL COMPOUNDS STS, PGLS, PEPD OPRM1 995/4885OPRK1 1724/4885OPRD1 931/4885
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS MRPL21, NISCH, LSS OPRM1 2306/4885OPRK1 2429/4885OPRD1 2417/4885
US-20150329530-A1 ANTIBACTERIAL COMPUNDS STS, PEPD, PGLS OPRM1 1226/4885OPRK1 1556/4885OPRD1 668/4885
US-20130252938-A1 Antibacterial Compounds STS, PGLS, PEPD OPRM1 995/4885OPRK1 1724/4885OPRD1 931/4885

“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.