SCHEMBL17618299

SCHEMBL17618299

c1cc2c3c(cccc3c1)CN(Cc1cc(CN3Cc4cccc5cccc(c45)C3)cc(CN3Cc4cccc5cccc(c45)C3)c1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.40
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SIGMAR1 Q99720 4/20 0.37
PRMT6 Q96LA8 1/20 0.37
TMEM97 Q5BJF2 3/20 0.36
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
HTR1A P08908 1/20 0.36
DRD4 P21917 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL17618298 0.94 SIGMAR1 (0.43) HRH4KMT2AMEN1NPC1RAB9A
SCHEMBL21082344 0.83 HRH4 (0.32) HRH4PRMT6
SCHEMBL24317721 0.83 TMEM97 (0.49) HRH4KMT2AMEN1NPC1RAB9A
SCHEMBL17618296 0.81 SIGMAR1 (0.46) KMT2AMEN1SIGMAR1TMEM97ADRA2A
SCHEMBL24317733 0.79 PRMT6 (0.35) HRH4KMT2AMEN1NPC1RAB9A
SCHEMBL17618297 0.78 SIGMAR1 (0.49) SIGMAR1PRMT6TMEM97ADRA2AADRA2B
SCHEMBL31440214 0.76 KMT2A (0.42) KMT2AMEN1NPC1RAB9ASIGMAR1
SCHEMBL8391771 0.76 CYP3A4 (0.41) HRH4CYP3A4TSHRHTR2C
SCHEMBL21082321 0.76 ACHE (0.32) ACHE
SCHEMBL17618302 0.73 KMT2A (0.48) KMT2AMEN1SIGMAR1DRD2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10988597-B2 Oxygen scavengers, compositions comprising the scavengers, and articles made from the compositions PLASTIPAK PACKAGING, INC. (US) 2021-04-27 US disclosed
US-20200131334-A1 OXYGEN SCAVENGERS, COMPOSITIONS COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS WELLS FARGO BANK, N.A., AS ADMINISTRATIVE AGENT 2020-04-30 US disclosed
US-10316167-B2 Oxygen scavengers, compositions comprising the scavengers, and articles made from the compositions PLASTIPAK PACKAGING (US) 2019-06-11 US disclosed
WO-2016044722-A1 OXYGEN SCAVENGERS, COMPOSITIONS COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS PLASTIPAK PACKAGING, INC. (US) 2016-03-24 WO disclosed
US-20160083558-A1 OXYGEN SCAVENGERS, COMPOSITIONS COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS PLASTIPAK PACKAGING, INC. (US) 2016-03-24 US disclosed
US-20160083558-A1 OXYGEN SCAVENGERS, COMPOSITIONS COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS PLASTIPAK PACKAGING, INC. (US) 2016-03-24 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 (4 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-20160083558-A1 OXYGEN SCAVENGERS, COMPOSITIONS COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS PRDX5, LPO, CAT HRH4 4873/4885CYP3A4 2498/4885TSHR 3903/4885
US-10316167-B2 Oxygen scavengers, compositions comprising the scavengers, and articles made from the compositions PRDX5, LPO, CAT HRH4 4873/4885CYP3A4 2498/4885TSHR 3903/4885
US-20200131334-A1 OXYGEN SCAVENGERS, COMPOSITIONS COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS PRDX5, LPO, CAT HRH4 4873/4885CYP3A4 2498/4885TSHR 3903/4885
US-10988597-B2 Oxygen scavengers, compositions comprising the scavengers, and articles made from the compositions PRDX5, LPO, CAT HRH4 4873/4885CYP3A4 2498/4885TSHR 3903/4885

“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.