SCHEMBL18878629

SCHEMBL18878629

CNC(=O)CN1CCCC1CN(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
LTA4H P09960 4/20 0.39
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TACR1 P25103 1/20 0.34
OPRK1 P41145 1/20 0.34
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
OPRD1 P41143 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
DDR1 Q08345 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
SCHEMBL9824064 0.95 LTA4H (0.40) ALDH1A1LTA4HL3MBTL1OPRK1TSHR
SCHEMBL18878613 0.82 ALDH1A1 (0.39) ALDH1A1LTA4HHTTL3MBTL1OPRK1
SCHEMBL18878632 0.81 LTA4H (0.39) ALDH1A1LTA4HL3MBTL1TSHRNPSR1
SCHEMBL9824251 0.81 CYP1A2 (0.41) ALDH1A1LTA4HTSHRNPSR1OPRD1
SCHEMBL18875429 0.78 OPRD1 (0.45) ALDH1A1LTA4HHTTL3MBTL1OPRD1
SCHEMBL18875624 0.78 OPRD1 (0.45) ALDH1A1LTA4HHTTL3MBTL1OPRD1
SCHEMBL18875512 0.78 OPRD1 (0.45) ALDH1A1LTA4HHTTL3MBTL1OPRD1
SCHEMBL18875510 0.78 OPRD1 (0.45) ALDH1A1LTA4HHTTL3MBTL1OPRD1
SCHEMBL18875321 0.78 OPRD1 (0.45) ALDH1A1LTA4HHTTL3MBTL1OPRD1
SCHEMBL18875398 0.78 OPRD1 (0.45) ALDH1A1LTA4HHTTL3MBTL1OPRD1

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 ALDH1A1 725/4885LTA4H 1125/4885HTT 4578/4885

“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.