SCHEMBL17138279

SCHEMBL17138279

COC(OC)[C@H](C1CCCC1)N(C)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
SLC18A3 Q16572 1/20 0.42
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRK1 P41145 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
G6PC1 P35575 1/20 0.36
AOC3 Q16853 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
SCHEMBL17138254 0.77 L3MBTL1 (0.43) L3MBTL1SLC18A3SLC6A4MEN1KMT2A
SCHEMBL17138249 0.75 L3MBTL1 (0.42) L3MBTL1SLC18A3SLC6A4MEN1KMT2A
SCHEMBL17144784 0.75 L3MBTL1 (0.42) L3MBTL1SLC18A3SLC6A4MEN1KMT2A
SCHEMBL11270890 0.73 ADRA2B (0.55) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL17138281 0.73 SLC18A3 (0.48) L3MBTL1SLC18A3ADRA2BADRA2CSLC6A2
SCHEMBL17138280 0.73 SLC18A3 (0.48) L3MBTL1SLC18A3ADRA2BADRA2CSLC6A2
SCHEMBL5564359 0.73 ADRA2B (0.55) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL17138272 0.72 L3MBTL1 (0.45) L3MBTL1SLC18A3ADRA2BADRA2CSLC6A2
SCHEMBL17138261 0.72 L3MBTL1 (0.51) L3MBTL1SLC18A3ADRA2BADRA2CSLC6A2
SCHEMBL17138274 0.72 L3MBTL1 (0.45) L3MBTL1SLC18A3ADRA2BADRA2CSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160158307-A1 Potent and Efficient Cytotoxic Peptides and Antibody-Drug Conjugates thereof and Their Synthesis ACES Pharma Inc. (US) 2016-06-09 US disclosed
US-20160158307-A1 Potent and Efficient Cytotoxic Peptides and Antibody-Drug Conjugates thereof and Their Synthesis ACES Pharma Inc. (US) 2016-06-09 US disclosed
US-20160158307-A1 Potent and Efficient Cytotoxic Peptides and Antibody-Drug Conjugates thereof and Their Synthesis ACES Pharma Inc. (US) 2016-06-09 US disclosed
US-9260478-B2 Potent and efficient cytotoxic peptides and antibody-drug conjugates thereof and their synthesis HU SHANGHUI (US) 2016-02-16 US disclosed
US-9260478-B2 Potent and efficient cytotoxic peptides and antibody-drug conjugates thereof and their synthesis HU SHANGHUI (US) 2016-02-16 US disclosed
US-9260478-B2 Potent and efficient cytotoxic peptides and antibody-drug conjugates thereof and their synthesis HU SHANGHUI (US) 2016-02-16 US disclosed
WO-2015154029-A1 POTENT AND EFFICIENT CYTOTOXIC PEPTIDES AND ANTIBODY-DRUG CONJUGATES THEREOF ACES Pharma Inc. (US) 2015-10-08 WO disclosed
WO-2015154029-A1 POTENT AND EFFICIENT CYTOTOXIC PEPTIDES AND ANTIBODY-DRUG CONJUGATES THEREOF ACES Pharma Inc. (US) 2015-10-08 WO disclosed
US-20150284425-A1 Potent and Efficient Cytotoxic Peptides and Antibody-Drug Conjugates thereof and Their Synthesis ACES Pharma Inc. (US) 2015-10-08 US disclosed
US-20150284425-A1 Potent and Efficient Cytotoxic Peptides and Antibody-Drug Conjugates thereof and Their Synthesis ACES Pharma Inc. (US) 2015-10-08 US disclosed
US-20150284425-A1 Potent and Efficient Cytotoxic Peptides and Antibody-Drug Conjugates thereof and Their Synthesis ACES Pharma Inc. (US) 2015-10-08 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 (2 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-20160158307-A1 Potent and Efficient Cytotoxic Peptides and Antibody-Drug Conjugates thereof and Their Synthesis NGLY1, VIP, DNPEP L3MBTL1 261/4885SLC18A3 3196/4885ADRA2B 4665/4885
US-20150284425-A1 Potent and Efficient Cytotoxic Peptides and Antibody-Drug Conjugates thereof and Their Synthesis NGLY1, VIP, DNPEP L3MBTL1 261/4885SLC18A3 3196/4885ADRA2B 4665/4885

“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.