SCHEMBL5264387

SCHEMBL5264387

CS(=O)(=O)OC1CC2CCC(C1)N2Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 12/20 0.55
OPRK1 P41145 10/20 0.53
CHRNB2 P17787 1/20 0.52
CHRNA7 P36544 1/20 0.52
CHRNA4 P43681 1/20 0.52
OPRM1 P35372 5/20 0.51
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
SLC6A2 P23975 1/20 0.51
DRD3 P35462 1/20 0.51
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
OPRD1 P41143 1/20 0.49

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
SCHEMBL20799630 0.77 RECQL (0.45) DRD2DRD3
SCHEMBL25197084 0.77 HTR2C (0.50) CHRM4CHRM5
SCHEMBL10517083 0.77 KCNH2 (0.61) KCNH2OPRK1CHRNB2CHRNA7CHRNA4
SCHEMBL10517086 0.77 KCNH2 (0.61) KCNH2OPRK1CHRNB2CHRNA7CHRNA4
SCHEMBL5744278 0.77 HRH3 (0.59) DRD2
SCHEMBL5746137 0.76 FUCA1 (0.47)
Hydrochloric Acid SCHEMBL9384270 0.75 KCNH2 (0.60) KCNH2OPRK1CHRNB2CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL9384273 0.75 KCNH2 (0.60) KCNH2OPRK1CHRNB2CHRNA7CHRNA4
SCHEMBL16766562 0.75 CHRM2 (0.62) KCNH2OPRK1CHRNB2CHRNA7CHRNA4
SCHEMBL4530898 0.75 CHRM2 (0.58) KCNH2OPRK1CHRNB2CHRNA7CHRNA4

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
WO-2013010453-A1 CHEMOKING RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2013-01-24 WO disclosed
US-20070244103-A1 Novel Compounds Having an Anti-Bacterial Activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2007-10-18 US disclosed
EP-1781650-A1 NOVEL COMPOUNDS HAVING AN ANTI-BACTERIAL ACTIVITY Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2007-05-09 EP disclosed
WO-2006021448-A1 NOVEL COMPOUNDS HAVING AN ANTI-BACTERIAL ACTIVITY Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2006-03-02 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-20070244103-A1 Novel Compounds Having an Anti-Bacterial Activity TOP1, TOP2A, TOP2B KCNH2 3363/4885OPRK1 2965/4885CHRNB2 4817/4885

“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.