SCHEMBL18878751

SCHEMBL18878751

CCCNC(=O)CN1CCCC1CN(C)CCN(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.39
LTA4H P09960 4/20 0.38
SIGMAR1 Q99720 2/20 0.36
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DNM1 Q05193 2/20 0.33

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
SCHEMBL18875411 0.83 OPRD1 (0.43) OPRD1LTA4HSIGMAR1ALDH1A1L3MBTL1
SCHEMBL18878756 0.80 SIGMAR1 (0.38) OPRD1LTA4HSIGMAR1ALDH1A1HTT
SCHEMBL18875651 0.79 OPRD1 (0.48) OPRD1LTA4HSIGMAR1L3MBTL1LMNA
SCHEMBL18875654 0.79 OPRD1 (0.48) OPRD1LTA4HSIGMAR1L3MBTL1LMNA
SCHEMBL18878632 0.77 LTA4H (0.39) OPRD1LTA4HSIGMAR1ALDH1A1L3MBTL1
SCHEMBL18875429 0.74 OPRD1 (0.45) OPRD1LTA4HSIGMAR1ALDH1A1HTT
SCHEMBL18875624 0.74 OPRD1 (0.45) OPRD1LTA4HSIGMAR1ALDH1A1HTT
SCHEMBL18875512 0.74 OPRD1 (0.45) OPRD1LTA4HSIGMAR1ALDH1A1HTT
SCHEMBL18875321 0.74 OPRD1 (0.45) OPRD1LTA4HSIGMAR1ALDH1A1HTT
SCHEMBL18875398 0.74 OPRD1 (0.45) OPRD1LTA4HSIGMAR1ALDH1A1HTT

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 OPRD1 1464/4885LTA4H 1125/4885SIGMAR1 2900/4885

“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.