SCHEMBL3366461

SCHEMBL3366461

CCCCCCC(C)CC(C)N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.61
SPHK1 Q9NYA1 2/20 0.50
TP53 P04637 2/20 0.48
PLA2G1B P04054 1/20 0.47
PLA2G2A P14555 1/20 0.47
ACE2 Q9BYF1 1/20 0.45
CYP2D6 P10635 2/20 0.42
LMNA P02545 2/20 0.42
LAP3 P28838 2/20 0.42
GMNN O75496 1/20 0.42
POLB P06746 1/20 0.42
THPO P40225 1/20 0.42
MTOR P42345 1/20 0.42
BLM P54132 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CETP P11597 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL22297918 0.98 OPRM1 (0.64) OPRM1SPHK1TP53PLA2G1BPLA2G2A
SCHEMBL22868194 0.96 OPRM1 (0.56) OPRM1SPHK1TP53PLA2G1BPLA2G2A
SCHEMBL3362190 0.90 OPRM1 (0.52) OPRM1SPHK1TP53PLA2G1BPLA2G2A
SCHEMBL21484412 0.90 OPRM1 (0.52) OPRM1SPHK1TP53PLA2G1BPLA2G2A
SCHEMBL20663212 0.86 OPRM1 (0.48) OPRM1SPHK1TP53PLA2G1BPLA2G2A
SCHEMBL4281824 0.85 ACE2 (0.52) OPRM1SPHK1ACE2LMNADNM1
SCHEMBL4275509 0.85 ACE2 (0.52) OPRM1SPHK1ACE2LMNADNM1
SCHEMBL4275206 0.85 ACE2 (0.52) OPRM1SPHK1ACE2LMNADNM1
SCHEMBL4272056 0.85 ACE2 (0.52) OPRM1SPHK1ACE2LMNADNM1
SCHEMBL4276688 0.85 ACE2 (0.52) OPRM1SPHK1ACE2LMNADNM1

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-20100041622-A1 Compositions containing aminoalkanes and aminoalkane derivatives VIRUN, INC. 2010-02-18 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-20100041622-A1 Compositions containing aminoalkanes and aminoalkane derivatives TAAR5, PDE3A, PDE2A OPRM1 116/4885SPHK1 842/4885TP53 4500/4885

“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.