SCHEMBL1283047

SCHEMBL1283047

CCOC(=O)C1(C)CCN(c2cc(Br)ccn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.47
▸ OPRD1 P41143 6/20 0.45
▸ KCNH2 Q12809 2/20 0.45
▸ OPRM1 P35372 7/20 0.40
▸ GRIN2D O15399 1/20 0.39
▸ GRIN3B O60391 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2A Q12879 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ GRIN2C Q14957 1/20 0.39
▸ GRIN3A Q8TCU5 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ OPRK1 P41145 3/20 0.38
▸ SLC22A1 O15245 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ ACACB O00763 1/20 0.38
▸ BRD4 O60885 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
SCHEMBL10235764 0.86 PIK3CA (0.50) PIK3CAOPRD1KCNH2OPRM1GRIN2D
SCHEMBL15260026 0.79 TRPV1 (0.44) PIK3CAOPRD1KCNH2OPRM1
SCHEMBL6978939 0.78 GPR119 (0.44) PIK3CAOPRD1KCNH2OPRM1OPRK1
SCHEMBL1282238 0.78 OPRM1 (0.39) OPRD1KCNH2OPRM1OPRK1SLC22A1
SCHEMBL29387438 0.77 MAPT (0.54) PIK3CAKMT2A
SCHEMBL15260190 0.77 OPRM1 (0.41) OPRD1KCNH2OPRM1GRIN2DGRIN3B
SCHEMBL15578242 0.77 MAPT (0.54) PIK3CAKMT2A
SCHEMBL15260099 0.77 PIK3CA (0.40) PIK3CAOPRD1KCNH2OPRM1OPRK1
SCHEMBL15260220 0.76 MAPT (0.43) OPRD1KCNH2OPRM1OPRK1SLC22A1
SCHEMBL28247431 0.76 CYP3A4 (0.50) OPRD1KCNH2OPRM1KMT2AOPRK1

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
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
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 PIK3CA 1700/4885OPRD1 2417/4885KCNH2 2727/4885

“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.

Send feedback