SCHEMBL18878756

SCHEMBL18878756

CC(=O)CN1CCCC1CN(C)CCN(C)C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.38
LTA4H P09960 4/20 0.36
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
OPRD1 P41143 1/20 0.30
BCHE P06276 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL18878638 0.90 SIGMAR1 (0.40) SIGMAR1LTA4HALDH1A1L3MBTL1OPRD1
SCHEMBL18878613 0.86 ALDH1A1 (0.39) LTA4HALDH1A1HTTL3MBTL1OPRD1
SCHEMBL18878751 0.80 OPRD1 (0.39) SIGMAR1LTA4HALDH1A1HTTL3MBTL1
SCHEMBL18875411 0.74 OPRD1 (0.43) SIGMAR1LTA4HALDH1A1L3MBTL1OPRD1
SCHEMBL2185063 0.74 L3MBTL1 (0.50) ALDH1A1L3MBTL1POLB
SCHEMBL2185067 0.74 L3MBTL1 (0.50) ALDH1A1L3MBTL1POLB
SCHEMBL18878632 0.73 LTA4H (0.39) SIGMAR1LTA4HALDH1A1L3MBTL1OPRD1
SCHEMBL14864228 0.71 ALDH1A1 (0.44) ALDH1A1HTTL3MBTL1OPRD1POLB
SCHEMBL14864229 0.71 ALDH1A1 (0.44) ALDH1A1HTTL3MBTL1OPRD1POLB
SCHEMBL9246161 0.71 LTA4H (0.38) LTA4HALDH1A1HTTL3MBTL1OPRD1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170146549-A1 ISOBARIC MASS LABELS ELECTROPHORETICS LIMITED (GB) 2017-05-25 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-20170146549-A1 ISOBARIC MASS LABELS SRMS, PTMS, QPCTL SIGMAR1 2900/4885LTA4H 1125/4885ALDH1A1 725/4885

“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.