SCHEMBL1282973

SCHEMBL1282973

COC(=O)C1CCN(Cc2ccccc2)CC1C

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 1/20 0.53
LTA4H P09960 1/20 0.52
MCHR1 Q99705 1/20 0.51
DRD2 P14416 3/20 0.50
DRD4 P21917 3/20 0.50
DRD3 P35462 2/20 0.50
ACHE P22303 1/20 0.50
SCN4A P35499 2/20 0.49
SIGMAR1 Q99720 1/20 0.48

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
SCHEMBL874431 0.88 S1PR5 (0.48) S1PR5DRD2DRD4DRD3SIGMAR1
SCHEMBL882579 0.88 S1PR5 (0.48) S1PR5DRD2DRD4DRD3SIGMAR1
SCHEMBL875284 0.88 S1PR5 (0.48) S1PR5DRD2DRD4DRD3SIGMAR1
SCHEMBL875727 0.88 S1PR5 (0.48) S1PR5DRD2DRD4DRD3SIGMAR1
SCHEMBL1708063 0.87 L3MBTL1 (0.57) S1PR5LTA4H
SCHEMBL15566220 0.87 SLC18A3 (0.52) MCHR1DRD2DRD4ACHESCN4A
SCHEMBL1282201 0.86 LTA4H (0.65) S1PR5LTA4HDRD2DRD4ACHE
SCHEMBL22863935 0.86 LTA4H (0.65) S1PR5LTA4HDRD2DRD4ACHE
SCHEMBL24027124 0.86 MCHR1 (0.50) MCHR1DRD2DRD4SCN4ASIGMAR1
SCHEMBL7818044 0.85 SLC6A2 (0.56) MCHR1

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 4 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
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

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 S1PR5 4675/4885LTA4H 1358/4885MCHR1 4477/4885

“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.