SCHEMBL17345895

SCHEMBL17345895

CN(CCNCCSCc1ccccc1)CC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.40
OPRD1 P41143 6/20 0.40
OPRK1 P41145 6/20 0.40
LMNA P02545 3/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
EPHX2 P34913 1/20 0.35
NPC1 O15118 2/20 0.35
HTT P42858 1/20 0.35
ACHE P22303 1/20 0.35
RAB9A P51151 1/20 0.34

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
SCHEMBL17345881 0.99 OPRM1 (0.39) OPRM1OPRD1OPRK1LMNAALDH1A1
SCHEMBL17346150 0.88 SIGMAR1 (0.42) OPRM1OPRD1OPRK1SIGMAR1EPHX2
SCHEMBL17346179 0.87 SIGMAR1 (0.44) OPRM1OPRD1OPRK1SIGMAR1EPHX2
SCHEMBL17346374 0.85 ACHE (0.47) OPRM1OPRD1OPRK1LMNAALDH1A1
SCHEMBL17346156 0.84 OPRM1 (0.37) OPRM1OPRD1OPRK1LMNAALDH1A1
SCHEMBL17346431 0.84 ACHE (0.48) OPRM1OPRD1OPRK1LMNAALDH1A1
SCHEMBL17346146 0.84 OPRM1 (0.37) OPRM1OPRD1OPRK1LMNAALDH1A1
SCHEMBL17346141 0.84 OPRM1 (0.42) OPRM1OPRD1OPRK1LMNAALDH1A1
SCHEMBL17346149 0.83 OPRM1 (0.36) OPRM1OPRD1OPRK1LMNAALDH1A1
SCHEMBL17346131 0.83 SIGMAR1 (0.38) OPRM1OPRD1OPRK1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10550139-B2 Polydentate ligands and their complexes for molecular catalysis TRIAD NATIONAL SECURITY, LLC (US) 2020-02-04 US disclosed
US-20170088571-A1 POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS TRIAD NATIONAL SECURITY, LLC 2017-03-30 US disclosed
US-20170088571-A1 POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS TRIAD NATIONAL SECURITY, LLC 2017-03-30 US disclosed
WO-2015191505-A1 POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS LOS ALAMOS NATIONAL SECURITY, LLC (US) 2015-12-17 WO 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 (2 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-20170088571-A1 POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS NANS, NCL, NCLN OPRM1 274/4885OPRD1 46/4885OPRK1 171/4885
US-10550139-B2 Polydentate ligands and their complexes for molecular catalysis NANS, NCL, NCLN OPRM1 274/4885OPRD1 46/4885OPRK1 171/4885

“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.