SCHEMBL18875711

SCHEMBL18875711

CCCCN1CCCC1C(=O)NCCC(=O)NCCC(=O)OCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 1/20 0.46
▸ OPRD1 P41143 2/20 0.45
▸ PRCP P42785 2/20 0.43
▸ POLB P06746 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ FKBP1A P62942 3/20 0.35
▸ KCNK3 O14649 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL18863407 0.85 OPRD1 (0.55) NR1I2OPRD1PRCPPOLBTSHR
SCHEMBL18863406 0.85 OPRD1 (0.55) NR1I2OPRD1PRCPPOLBTSHR
SCHEMBL17335929 0.84 PRCP (0.61) NR1I2OPRD1PRCPPOLBTSHR
SCHEMBL17335931 0.84 PRCP (0.61) NR1I2OPRD1PRCPPOLBTSHR
SCHEMBL17335869 0.83 NR1I2 (0.44) NR1I2OPRD1PRCPPOLBTSHR
SCHEMBL17335874 0.83 NR1I2 (0.44) NR1I2OPRD1PRCPPOLBTSHR
SCHEMBL16511105 0.76 NR1I2 (0.60) NR1I2OPRD1POLBTSHRSMN1; SMN2
SCHEMBL18875626 0.75 PRCP (0.59) PRCPTSHRSMN1; SMN2CYP3A4FKBP1A
SCHEMBL16511108 0.71 NR1I2 (0.61) NR1I2OPRD1POLBTSHRSMN1; SMN2
SCHEMBL11842978 0.71 OPRD1 (0.55) NR1I2OPRD1PRCPPOLBTSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170146549-A1 ISOBARIC MASS LABELS ELECTROPHORETICS LIMITED (GB) 2017-05-25 — — US disclosed
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 NR1I2 563/4885OPRD1 1464/4885PRCP 821/4885

“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.

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