SCHEMBL21164244

SCHEMBL21164244

CCCCC(CC)NCCC(C)N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.46
TP53 P04637 1/20 0.38
LMNA P02545 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CNR1 P21554 1/20 0.35
ADRA1A P35348 1/20 0.35
KDM4E B2RXH2 1/20 0.35
DPP7 Q9UHL4 5/20 0.35
DPP8 Q6V1X1 4/20 0.35
ALDH1A1 P00352 2/20 0.34
ABCC3 O15438 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC15A1 P46059 1/20 0.34
DPP4 P27487 3/20 0.34
DPP9 Q86TI2 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
CA1 P00915 2/20 0.32

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
SCHEMBL21164246 0.85 OPRM1 (0.34) OPRM1LMNATDP1CNR1ADRA1A
SCHEMBL21011835 0.82 LMNA (0.37) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL18234043 0.82 CYP3A4 (0.48) TP53LMNATDP1CNR1ADRA1A
SCHEMBL27419978 0.81 LMNA (0.42) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL16264300 0.81 LMNA (0.42) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL21164242 0.80 OPRM1 (0.31) OPRM1LMNATDP1CNR1ADRA1A
SCHEMBL27419891 0.79 ALDH1A1 (0.41) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL27355101 0.79 EPHX1 (0.44) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL27419979 0.77 LMNA (0.44) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL9212478 0.77 EPHX1 (0.48) LMNATDP1CNR1ADRA1AKDM4E

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-10350178-B2 Methods and compositions for treatment of demyelinating diseases PATHOLOGICA LLC (US) 2019-07-16 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-10350178-B2 Methods and compositions for treatment of demyelinating diseases PMP22, MAG, GMFG OPRM1 4043/4885TP53 3652/4885LMNA 2354/4885

“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.