SCHEMBL252252

SCHEMBL252252

CCCCC(CC)CN1CCCN2CCCN=C21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.35
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CHRM1 P11229 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
CYP1A2 P05177 1/20 0.33
TSHR P16473 2/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 5/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM2B Q8NHM5 1/20 0.31
CYP3A4 P08684 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL12933719 0.82 CYP2D6 (0.33) CYP2D6CYP1A2TSHRHTTALDH1A1
SCHEMBL252415 0.77 CYP2D6 (0.44) CYP2D6CYP1A2TSHRHTTALDH1A1
SCHEMBL9131907 0.75 ALDH1A1 (0.47) CYP2D6CYP1A2TSHRHTTALDH1A1
SCHEMBL251940 0.74 CYP2D6 (0.42) CYP2D6CYP1A2TSHRHTTALDH1A1
SCHEMBL16234596 0.71 CYP1A2 (0.31) CYP2D6CYP1A2TSHRHTT
SCHEMBL23075888 0.70 USP2 (0.35) CYP2D6CYP1A2TSHRHTTALDH1A1
SCHEMBL22106057 0.70 USP2 (0.35) CYP2D6CYP1A2TSHRHTTALDH1A1
SCHEMBL23871810 0.70 ALDH1A1 (0.39) CYP2D6CYP1A2TSHRHTTALDH1A1
SCHEMBL23571886 0.69 INMT (0.38) TSHR
SCHEMBL2145803 0.69 PIK3CD (0.54) CYP2D6CHRM2HTR1AADRA2AADORA3

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 90 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10640641-B2 Curable coating compositions of silane functional polymers KING INDUSTRIES (US) 2020-05-05 US claimed
US-20200062953-A1 CURABLE COATING COMPOSITIONS OF SILANE FUNCTIONAL POLYMERS KING INDUSTRIES 2020-02-27 US claimed
US-20190248721-A1 PROCESSES FOR PREPARING CALIXARENES SI GROUP, INC. 2019-08-15 US claimed
WO-2019157357-A1 PROCESSES FOR PREPARING CALIXARENES SI GROUP, INC. (US) 2019-08-15 WO claimed
US-10336863-B2 Curable composition having a special catalyst/softner system HENKEL AG & CO. KGAA (DE) 2019-07-02 US claimed
US-20180237635-A1 CURABLE COATING COMPOSITIONS OF SILANE FUNCTIONAL POLYMERS KING INDUSTRIES 2018-08-23 US claimed
US-9976028-B2 Curable coating compositions of silane functional polymers KING INDUSTRIES (US) 2018-05-22 US claimed
EP-1930376-B2 CURABLE COMPOSITION KANEKA CORP (JP) 2016-09-07 EP claimed
WO-2016137881-A1 CURABLE COATING COMPOSITIONS OF SILANE FUNCTIONAL POLYMERS KING INDUSTRIES (US) 2016-09-01 WO claimed
US-20160244606-A1 CURABLE COATING COMPOSITIONS OF SILANE FUNCTIONAL POLYMERS KING INDUSTRIES 2016-08-25 US claimed
WO-2012036392-A3 HUMAN ANTI-EPIDERMAL GROWTH FACTOR RECEPTOR FAB ANTIBODY AND A PHARMACEUTICAL COMPOSITION FOR TREATING TUMOURS COMPRISING THE SAME 주식회사 아이지세라피 (KR) 2012-05-10 WO claimed
EP-1930376-B1 CURABLE COMPOSITION KANEKA CORP (JP) 2011-12-07 EP claimed
US-8013080-B2 Curable composition KANEKA CORPORATION (JP) 2011-09-06 US claimed
US-12049440-B2 Processes for preparing calixarenes SI GROUP, INC. (US) 2024-07-30 US disclosed
US-20220177397-A1 PROCESSES FOR PREPARING CALIXARENES SI GROUP, INC. 2022-06-09 US disclosed
US-11225450-B2 Processes for preparing calixarenes SI GROUP, INC. (US) 2022-01-18 US disclosed
EP-1930376-B1 CURABLE COMPOSITION KANEKA CORP (JP) 2011-12-07 EP disclosed
US-8013080-B2 Curable composition KANEKA CORPORATION (JP) 2011-09-06 US disclosed
US-20090171025-A1 CURABLE COMPOSITION KANEKA CORPORATION (JP) 2009-07-02 US disclosed
EP-1930376-A1 CURABLE COMPOSITION Kaneka Corporation (JP) 2008-06-11 EP 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-20190248721-A1 PROCESSES FOR PREPARING CALIXARENES CALU, CALD1, CALR CYP2D6 1274/4885CHRM2 3801/4885HTR1A 3644/4885
US-11225450-B2 Processes for preparing calixarenes CALU, CALD1, CALR CYP2D6 1274/4885CHRM2 3801/4885HTR1A 3644/4885
US-20220177397-A1 PROCESSES FOR PREPARING CALIXARENES CALU, CALD1, CALR CYP2D6 1274/4885CHRM2 3801/4885HTR1A 3644/4885
US-12049440-B2 Processes for preparing calixarenes CALU, CALD1, CALR CYP2D6 1274/4885CHRM2 3801/4885HTR1A 3644/4885

“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.