SCHEMBL14036688

SCHEMBL14036688

COc1c(C)cc(CN)cc1C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.45
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
ALDH1A1 P00352 1/20 0.40
LOX P28300 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
PTGS2 P35354 1/20 0.37
SPIN1 Q9Y657 2/20 0.36
NR3C1 P04150 1/20 0.36
NR3C2 P08235 1/20 0.36
ACHE P22303 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
MAOB P27338 2/20 0.34
CYP1A2 P05177 1/20 0.33
SPIN4 Q56A73 1/20 0.33
SPIN3 Q5JUX0 1/20 0.33
SPIN2B Q9BPZ2 1/20 0.33

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
SCHEMBL12172998 0.87 HTR2A (0.55) HTR2AHTR2CHTR2BALDH1A1PTGS2
SCHEMBL13304653 0.80 DHFR (0.51) DHFRALDH1A1PTGS2NR3C1NR3C2
SCHEMBL8377139 0.78 PTGS2 (0.60) DHFRHTR2AHTR2CHTR2BALDH1A1
SCHEMBL12936082 0.77 HTR2A (0.43) DHFRHTR2AHTR2CHTR2BALDH1A1
SCHEMBL23743654 0.76 ALDH1A1 (0.44) DHFRHTR2AHTR2CHTR2BALDH1A1
SCHEMBL7088043 0.76 MAPT (0.52) DHFRALDH1A1PTGS2NR3C1NR3C2
SCHEMBL13715424 0.76 DHFR (0.41) DHFRHTR2AHTR2CHTR2BALDH1A1
SCHEMBL5828450 0.76 DHFR (0.41) DHFRHTR2AHTR2CHTR2BALDH1A1
SCHEMBL111191 0.76 HTR2A (0.69) HTR2AHTR2CHTR2BPTGS2ACHE
SCHEMBL4597547 0.76 DHFR (0.41) DHFRHTR2AHTR2CHTR2BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150377879-A1 PEPTOIDS THAT BIND SPECIFIC ANTIGENS THE SCRIPPS RESEARCH INSTITUTE (US) 2015-12-31 US disclosed
WO-2008137102-A2 METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR TORREYPINES THERAPEUTICS, INC. (US) 2008-11-13 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 (1 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-20150377879-A1 PEPTOIDS THAT BIND SPECIFIC ANTIGENS AQP4, AQP3, AQP1 DHFR 3613/4885HTR2A 4852/4885HTR2C 4688/4885

“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.