SCHEMBL4777482

SCHEMBL4777482

O=C(O)NC1CCC(N2CCCCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.54
POLB P06746 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HTT P42858 1/20 0.44
L3MBTL3 Q96JM7 4/20 0.42
MBTD1 Q05BQ5 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CHRM5 P08912 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM3 P20309 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL4777474 1.00 SIGMAR1 (0.54) SIGMAR1POLBHSD17B10HTTL3MBTL3
SCHEMBL3272638 0.98 SIGMAR1 (0.51) SIGMAR1POLBHSD17B10HTTL3MBTL3
SCHEMBL15190856 0.98 SIGMAR1 (0.51) SIGMAR1POLBHSD17B10HTTL3MBTL3
SCHEMBL3272642 0.98 SIGMAR1 (0.51) SIGMAR1POLBHSD17B10HTTL3MBTL3
Oxalic Acid SCHEMBL4158692 0.94 SIGMAR1 (0.49) SIGMAR1POLBHSD17B10HTTL3MBTL3
SCHEMBL22191535 0.94 SIGMAR1 (0.48) SIGMAR1POLBHSD17B10HTTL3MBTL3
SCHEMBL22208127 0.86 POLB (0.46) SIGMAR1POLBHSD17B10HTTMEN1
SCHEMBL23573288 0.82 POLB (0.56) SIGMAR1POLBHSD17B10HTTMEN1
SCHEMBL3369574 0.82 POLB (0.51) SIGMAR1POLBHSD17B10MEN1KMT2A
SCHEMBL854180 0.81 PDE7A (0.46) SIGMAR1POLBHSD17B10L3MBTL3L3MBTL1

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-8519124-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-08-27 US disclosed
EP-1961744-B1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO (JP) 2013-04-17 EP disclosed
US-20120207765-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-08-16 US disclosed
EP-1961744-A1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-27 EP 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-20120207765-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF CXCR4, CXCR3, CXCR1 SIGMAR1 791/4885POLB 3903/4885HSD17B10 2839/4885

“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.