SCHEMBL10246596

SCHEMBL10246596

C=C(C)CN1CCCN(C)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.47
CHKA P35790 4/20 0.42
HTR7 P34969 1/20 0.40
CA2 P00918 1/20 0.40
NCF1 P14598 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
ALDH1A1 P00352 2/20 0.38
STAT6 P42226 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
OPRD1 P41143 1/20 0.37
PAOX Q6QHF9 1/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL10248689 0.91 ALDH1A1 (0.44) SIGMAR1ALDH1A1STAT6SMN1; SMN2OPRD1
SCHEMBL10248697 0.87
SCHEMBL8732181 0.82
SCHEMBL10246602 0.82
SCHEMBL604151 0.82 ALDH1A1 (0.64) SIGMAR1CHKAHTR7CA2NCF1
SCHEMBL10248708 0.80 ALDH1A1 (0.45) ALDH1A1STAT6SMN1; SMN2OPRD1POLB
SCHEMBL10246527 0.80 ALDH1A1 (0.45) ALDH1A1STAT6SMN1; SMN2OPRD1POLB
SCHEMBL12735367 0.79 SIGMAR1 (0.56) SIGMAR1CHKACA2NCF1PRMT6
Potassium Ion SCHEMBL604175 0.76 SIGMAR1 (0.42) SIGMAR1CHKAHTR7CA2NCF1
SCHEMBL19361138 0.75 SIGMAR1 (0.56) SIGMAR1CHKACA2NCF1PRMT6

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-20120041193-A1 SUBSTITUTED INTERNAL VINYL-BORONIC ACIDS AND BORONIC ACID DERIVATIVES FRONTIER SCIENTIFIC, INC. (US) 2012-02-16 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-20120041193-A1 SUBSTITUTED INTERNAL VINYL-BORONIC ACIDS AND BORONIC ACID DERIVATIVES BLVRB, BTD, BCL6B SIGMAR1 4074/4885CHKA 776/4885HTR7 4558/4885

“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.