SCHEMBL344055

SCHEMBL344055

CC(N)CCCNCCC(C)N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.46
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.37
CA12 O43570 3/20 0.35
CA2 P00918 3/20 0.35
CA4 P22748 3/20 0.35
CA6 P23280 3/20 0.35
CA5A P35218 3/20 0.35
CA7 P43166 3/20 0.35
CA9 Q16790 3/20 0.35
CA14 Q9ULX7 3/20 0.35
CA5B Q9Y2D0 3/20 0.35
CA3 P07451 2/20 0.35
CYP2C19 P33261 3/20 0.33
CYP1A2 P05177 3/20 0.33
CASP2 P42575 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 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
SCHEMBL17508101 0.95 OPRM1 (0.50) OPRM1ALDH1A1TDP1TP53CA12
SCHEMBL342753 0.92 OPRM1 (0.42) OPRM1ALDH1A1TDP1TP53CA12
SCHEMBL8640657 0.90 OPRM1 (0.40) OPRM1ALDH1A1TP53CA12CA2
SCHEMBL8851071 0.90 OPRM1 (0.40) OPRM1ALDH1A1TP53CA12CA2
SCHEMBL12227392 0.90 OPRM1 (0.40) OPRM1ALDH1A1TP53CA12CA2
SCHEMBL3695740 0.89 OPRM1 (0.41) OPRM1ALDH1A1TDP1TP53CA12
SCHEMBL28855125 0.87 OPRM1 (0.44) OPRM1ALDH1A1TDP1TP53CA12
SCHEMBL8618177 0.86 OPRM1 (0.39) OPRM1ALDH1A1TDP1TP53GABRP
SCHEMBL12249026 0.86 OPRM1 (0.39) OPRM1ALDH1A1TDP1TP53CA12
SCHEMBL12248118 0.86 OPRM1 (0.39) OPRM1ALDH1A1TDP1TP53CA12

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-20120015901-A1 METHODS AND PREPARATIONS FOR PROTECTING CRITICALLY ILL PATIENTS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2012-01-19 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-20120015901-A1 METHODS AND PREPARATIONS FOR PROTECTING CRITICALLY ILL PATIENTS BECN1, SQSTM1, ATG7 OPRM1 3310/4885ALDH1A1 4533/4885TDP1 3217/4885

“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.