SCHEMBL18875720

SCHEMBL18875720

CC(C)(C)[13CH2]N1CCC[13CH]1C([15NH2])=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
SPHK1 Q9NYA1 1/20 0.38
LMNA P02545 2/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SCN3A Q9NY46 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
SCN9A Q15858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
DPP4 P27487 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 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
SCHEMBL13508606 1.00 POLB (0.39) POLBSPHK1LMNACYP2C19HSD17B10
SCHEMBL18875659 1.00 POLB (0.39) POLBSPHK1LMNACYP2C19HSD17B10
SCHEMBL18875598 1.00 POLB (0.39) POLBSPHK1LMNACYP2C19HSD17B10
SCHEMBL14505233 1.00 POLB (0.39) POLBSPHK1LMNACYP2C19HSD17B10
SCHEMBL14505238 1.00 POLB (0.39) POLBSPHK1LMNACYP2C19HSD17B10
SCHEMBL18875597 1.00 POLB (0.39) POLBSPHK1LMNACYP2C19HSD17B10
SCHEMBL18875721 1.00 POLB (0.39) POLBSPHK1LMNACYP2C19HSD17B10
SCHEMBL18875595 1.00 POLB (0.39) POLBSPHK1LMNACYP2C19HSD17B10
SCHEMBL18875706 1.00 POLB (0.39) POLBSPHK1LMNACYP2C19HSD17B10
SCHEMBL18875585 1.00 POLB (0.39) POLBSPHK1LMNACYP2C19HSD17B10

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-20170146549-A1 ISOBARIC MASS LABELS ELECTROPHORETICS LIMITED (GB) 2017-05-25 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-20170146549-A1 ISOBARIC MASS LABELS SRMS, PTMS, QPCTL POLB 2893/4885SPHK1 4834/4885LMNA 49/4885

“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.