SCHEMBL18878632

SCHEMBL18878632

CCN(CC)CCN(C)CC1CCCN1CC(=O)NC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.39
ALDH1A1 P00352 2/20 0.39
SIGMAR1 Q99720 1/20 0.37
TSHR P16473 2/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
OPRD1 P41143 1/20 0.31

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
SCHEMBL9824251 0.83 CYP1A2 (0.41) LTA4HALDH1A1TSHRPOLBKMT2A
SCHEMBL18878629 0.81 ALDH1A1 (0.42) LTA4HALDH1A1TSHRL3MBTL1NPSR1
SCHEMBL9824618 0.81 ALDH1A1 (0.41) ALDH1A1TSHRPOLBL3MBTL1KMT2A
SCHEMBL18878638 0.78 SIGMAR1 (0.40) LTA4HALDH1A1SIGMAR1L3MBTL1OPRD1
SCHEMBL9824064 0.77 LTA4H (0.40) LTA4HALDH1A1TSHRPOLBL3MBTL1
SCHEMBL18878751 0.77 OPRD1 (0.39) LTA4HALDH1A1SIGMAR1L3MBTL1KMT2A
SCHEMBL18878756 0.73 SIGMAR1 (0.38) LTA4HALDH1A1SIGMAR1POLBL3MBTL1
SCHEMBL18875651 0.73 OPRD1 (0.48) LTA4HSIGMAR1L3MBTL1KMT2AOPRD1
SCHEMBL18875654 0.73 OPRD1 (0.48) LTA4HSIGMAR1L3MBTL1KMT2AOPRD1
SCHEMBL9824144 0.70 LTA4H (0.36) LTA4HALDH1A1TSHRNPSR1OPRD1

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 LTA4H 1125/4885ALDH1A1 725/4885SIGMAR1 2900/4885

“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.