SCHEMBL17618296

SCHEMBL17618296

c1ccc2c(c1)CN(Cc1cc(CN3Cc4ccccc4C3)cc(CN3Cc4ccccc4C3)c1)C2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.46
ADRA2A P08913 2/20 0.46
ADRA2B P18089 2/20 0.46
ADRA2C P18825 2/20 0.46
TMEM97 Q5BJF2 2/20 0.46
HTR1A P08908 1/20 0.44
DRD4 P21917 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2C P28335 1/20 0.44
SLC6A4 P31645 1/20 0.44
OPRK1 P41145 1/20 0.44
HTR2B P41595 1/20 0.44
HTR5A P47898 1/20 0.44
SLC6A3 Q01959 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL17618297 0.91 SIGMAR1 (0.49) SIGMAR1ADRA2AADRA2BADRA2CTMEM97
SCHEMBL6672942 0.86 SIGMAR1 (0.62) SIGMAR1ADRA2AADRA2BADRA2CTMEM97
Hydrochloric Acid SCHEMBL16713355 0.84 SIGMAR1 (0.60) SIGMAR1ADRA2AADRA2BADRA2CTMEM97
SCHEMBL17618299 0.81 HRH4 (0.40) SIGMAR1ADRA2AADRA2BADRA2CTMEM97
SCHEMBL30073105 0.79 SIGMAR1 (0.60) SIGMAR1ADRA2AADRA2BADRA2CTMEM97
SCHEMBL3240403 0.79 MEN1 (0.46) SIGMAR1ADRA2AADRA2BADRA2CTMEM97
SCHEMBL16724560 0.79 CYP19A1 (0.47) SIGMAR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL30052671 0.79 LMNA (0.63) SIGMAR1MEN1KMT2AALDH1A1BACE1
SCHEMBL3160288 0.79 LMNA (0.56) SIGMAR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL20457589 0.78 ACHE (0.57) ALDH1A1KDM4EMAPTHTTBACE1

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 SIGMAR1 130/4885ADRA2A 2283/4885ADRA2B 2818/4885
US-10316167-B2 Oxygen scavengers, compositions comprising the scavengers, and articles made from the compositions PRDX5, LPO, CAT SIGMAR1 130/4885ADRA2A 2283/4885ADRA2B 2818/4885
US-20200131334-A1 OXYGEN SCAVENGERS, COMPOSITIONS COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS PRDX5, LPO, CAT SIGMAR1 130/4885ADRA2A 2283/4885ADRA2B 2818/4885
US-10988597-B2 Oxygen scavengers, compositions comprising the scavengers, and articles made from the compositions PRDX5, LPO, CAT SIGMAR1 130/4885ADRA2A 2283/4885ADRA2B 2818/4885

“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.