SCHEMBL1604010

SCHEMBL1604010

CCNCCC1=CCc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.45
ADRB2 P07550 2/20 0.41
NQO2 P16083 2/20 0.40
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
HTR2A P28223 3/20 0.37
HTR7 P34969 2/20 0.36
HTR1B P28222 2/20 0.36
HTR1A P08908 2/20 0.36
HTR2B P41595 2/20 0.36
HTR1D P28221 1/20 0.36
HTR1E P28566 1/20 0.36
HTR5A P47898 1/20 0.36
HTT P42858 2/20 0.33
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
RET P07949 1/20 0.32
CHRM2 P08172 1/20 0.32

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
SCHEMBL5859128 0.85 HTR6 (0.50) HTR6NQO2MTNR1AMTNR1BHTR7
SCHEMBL6683869 0.82 HTR6 (0.47) HTR6ADRB2NQO2MTNR1AMTNR1B
SCHEMBL2338975 0.81 HTR6 (0.56) HTR6NQO2MTNR1AMTNR1BHTR7
SCHEMBL31121639 0.81 HTR6 (0.56) HTR6NQO2MTNR1AMTNR1BHTR7
SCHEMBL23023190 0.80 GAA (0.53) HTR6CHRM2SIGMAR1
SCHEMBL29663816 0.79 HTR6 (0.47) HTR6HTR7CYP1A2CYP2D6CYP2C19
SCHEMBL20430497 0.79 HTR6 (0.47) HTR6HTR7CYP1A2CYP2D6CYP2C19
SCHEMBL3874874 0.77 HTR6 (0.53) HTR6NQO2MTNR1AMTNR1BHTR7
SCHEMBL3868123 0.77 HTR6 (0.53) HTR6NQO2MTNR1AMTNR1BHTR7
SCHEMBL6552816 0.77 HTR6 (0.53) HTR6MTNR1AMTNR1BHTR7NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150291567-A1 TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS GFBIOCHEMICALS LIMITED (MT) 2015-10-15 US disclosed
US-20140135455-A1 TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS SEGETIS, INC. (US) 2014-05-15 US disclosed
US-8653223-B2 Transketalized compositions, synthesis, and applications SEGETIS, INC. (US) 2014-02-18 US disclosed
US-20110082264-A1 TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS SEGETIS, INC. (US) 2011-04-07 US disclosed
WO-2009146202-A2 TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS SEGETIS, INC. (US) 2009-12-03 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 (3 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-20140135455-A1 TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS TKT, KHK, KYAT3 HTR6 2322/4885ADRB2 4360/4885NQO2 3069/4885
US-20110082264-A1 TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS TKT, KHK, KYAT3 HTR6 2322/4885ADRB2 4360/4885NQO2 3069/4885
US-20150291567-A1 TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS TKT, KHK, KYAT3 HTR6 2322/4885ADRB2 4360/4885NQO2 3069/4885

“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.