SCHEMBL1282256

SCHEMBL1282256

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
FPR2 P25090 2/20 0.39
PROKR1 Q8TCW9 2/20 0.39
POLB P06746 3/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
OPRM1 P35372 3/20 0.38
OPRD1 P41143 3/20 0.38
PKM P14618 1/20 0.38
OPRK1 P41145 2/20 0.38
SLC22A1 O15245 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
KCNH2 Q12809 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
SCHEMBL1282143 0.87 MEN1 (0.40) ALDH1A1MAPK1LMNAFPR2PROKR1
SCHEMBL1282645 0.86 OPRM1 (0.39) KDM4EOPRM1OPRD1OPRK1SLC22A1
SCHEMBL1282238 0.86 OPRM1 (0.39) KDM4EOPRM1OPRD1OPRK1SLC22A1
SCHEMBL1282886 0.85 LMNA (0.56) ALDH1A1MAPK1LMNAPOLBKDM4E
SCHEMBL1282035 0.85 OPRM1 (0.38) POLBKDM4EOPRM1OPRD1OPRK1
SCHEMBL1283028 0.84 POLB (0.40) POLBMEN1KMT2A
SCHEMBL1281858 0.84 KDM4E (0.38) KDM4EOPRM1OPRD1OPRK1SLC22A1
SCHEMBL1282673 0.82 OPRM1 (0.36) KDM4EMEN1KMT2AOPRM1OPRD1
SCHEMBL1282416 0.81 KDM4E (0.36) KDM4EMEN1KMT2AOPRM1OPRD1
SCHEMBL1282057 0.81 CYP3A4 (0.40) ALDH1A1LMNAFPR2PROKR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 (1 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-20120088750-A1 ANTIBACTERIAL COMPOUNDS MRPL21, NISCH, LSS ALDH1A1 2614/4885MAPK1 3226/4885LMNA 3685/4885

“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.