SCHEMBL21164239

SCHEMBL21164239

CCCNCC(C)CCCNCCC(C)N

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.38
ANPEP P15144 2/20 0.37
ERAP2 Q6P179 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
PAOX Q6QHF9 1/20 0.32
TP53 P04637 1/20 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
SCHEMBL21164243 0.84 CA12 (0.43) ANPEPALDH1A1TSHRPAOX
SCHEMBL21164238 0.83 CA12 (0.42) TSHRPAOX
SCHEMBL21164235 0.83 CA12 (0.42) TSHRPAOX
SCHEMBL16208729 0.82 OPRM1 (0.54) OPRM1ANPEPERAP2ALDH1A1TSHR
SCHEMBL29263119 0.82
SCHEMBL22897317 0.81 ALDH1A1 (0.50) ANPEPERAP2ALDH1A1TSHRPAOX
SCHEMBL26250240 0.81 ALDH1A1 (0.42) ANPEPERAP2ALDH1A1TSHRPAOX
SCHEMBL10896616 0.80 ANPEP (0.38) ANPEPALDH1A1TSHRPAOX
Lithium Ion SCHEMBL1459566 0.79 OPRM1 (0.50) OPRM1ANPEPERAP2ALDH1A1TSHR
SCHEMBL10643764 0.78 OPRM1 (0.54) OPRM1ANPEPERAP2ALDH1A1TSHR

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 4043/4885ANPEP 1832/4885ERAP2 2800/4885

“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.