SCHEMBL1282935

SCHEMBL1282935

N#CC1(c2ccccc2)CCN(c2ncc(Br)cn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.49
OPRM1 P35372 2/20 0.49
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
OPRD1 P41143 1/20 0.45
OPRL1 P41146 3/20 0.42
TNF P01375 1/20 0.42
GRM2 Q14416 1/20 0.41
SCD O00767 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CA7 P43166 1/20 0.39
CA14 Q9ULX7 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
SCHEMBL1684410 0.86 MLYCD (0.49) MLYCDOPRM1CA12CA1CA2
SCHEMBL5473743 0.82 KMT2A (0.63) OPRM1OPRD1OPRL1ALDH1A1
SCHEMBL3604273 0.76 OPRM1 (0.59) MLYCDOPRM1CA12CA1CA2
SCHEMBL1282234 0.75 MLYCD (0.50) MLYCDOPRM1OPRD1
SCHEMBL1292748 0.73 RIPK1 (0.40) ALDH1A1
SCHEMBL16245814 0.73 MLYCD (0.47) MLYCDOPRM1CA12CA1CA2
SCHEMBL1282800 0.73 MLYCD (0.52) MLYCDOPRM1OPRD1OPRL1ALDH1A1
SCHEMBL4770302 0.71 OPRM1 (0.51) MLYCDOPRM1CA12CA1CA2
SCHEMBL15206692 0.71 ALDH1A1 (0.42) MLYCDOPRM1SCDALDH1A1
SCHEMBL432561 0.71 OPRM1 (0.59) OPRM1CA12CA1CA2CA9

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 8 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
WO-2012045124-A1 BACTERIA TOPOISOMERASE II INHIBITING 2-ETHYLCARBAMOYLAMINO-1, 3-BENZOTHIAZOL-5-YLS BIOTA EUROPE LTD (GB) 2012-04-12 WO disclosed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 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 (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 MLYCD 262/4885OPRM1 2306/4885CA12 4495/4885

“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.