SCHEMBL17346149

SCHEMBL17346149

CC(C)N(CCNCCSCc1ccccc1)CC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.36
OPRK1 P41145 4/20 0.36
OPRD1 P41143 3/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
EPHX2 P34913 1/20 0.35
ALDH1A1 P00352 3/20 0.35
ACHE P22303 1/20 0.35
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HTT P42858 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
SCHEMBL17346146 0.99 OPRM1 (0.37) OPRM1OPRK1OPRD1MAPTMEN1
SCHEMBL17346171 0.90 ACHE (0.35) OPRM1OPRK1OPRD1MAPTMEN1
SCHEMBL17346109 0.89 OPRK1 (0.35) OPRM1OPRK1OPRD1MAPTMEN1
SCHEMBL17346050 0.88 SIGMAR1 (0.40) OPRM1OPRK1OPRD1MAPTMEN1
SCHEMBL17345881 0.85 OPRM1 (0.39) OPRM1OPRK1OPRD1MAPTMEN1
SCHEMBL17345895 0.83 OPRM1 (0.40) OPRM1OPRK1OPRD1MAPTMEN1
SCHEMBL17346431 0.83 ACHE (0.48) OPRM1OPRK1OPRD1SIGMAR1SMN1; SMN2
SCHEMBL17346131 0.82 SIGMAR1 (0.38) OPRM1OPRK1OPRD1MAPTMEN1
SCHEMBL17346059 0.81 ALDH1A1 (0.38) MAPTMEN1KMT2APOLBTDP1
SCHEMBL17346227 0.81 OPRM1 (0.41) OPRM1OPRK1OPRD1MAPTSIGMAR1

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 274/4885OPRK1 171/4885OPRD1 46/4885
US-10550139-B2 Polydentate ligands and their complexes for molecular catalysis NANS, NCL, NCLN OPRM1 274/4885OPRK1 171/4885OPRD1 46/4885

“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.