SCHEMBL2019891

SCHEMBL2019891

CCNCC(=O)NCCO

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.42
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
BLM P54132 2/20 0.42
TRPV1 Q8NER1 2/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
FAAH O00519 1/20 0.42
KCNK3 O14649 1/20 0.42
CNR2 P34972 1/20 0.42
HPGD P15428 2/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NAAA Q02083 1/20 0.39
SELP P16109 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL2018659 0.87 ALDH1A1 (0.36) CNR1ALDH1A1MEN1KMT2ABLM
SCHEMBL2019288 0.87 MEN1 (0.46) CNR1ALDH1A1MEN1KMT2ANAAA
SCHEMBL18602384 0.84 MCL1 (0.54) CNR1ALDH1A1MEN1KMT2ANAAA
SCHEMBL16384590 0.83 ALDH1A1 (0.42) CNR1ALDH1A1MEN1KMT2ABLM
SCHEMBL3108825 0.83 ALDH1A1 (0.42) CNR1ALDH1A1MEN1KMT2ABLM
SCHEMBL8429840 0.82 MCL1 (0.40) CNR1ALDH1A1MEN1KMT2ABLM
SCHEMBL14813162 0.82 KMT2A (0.39) ALDH1A1MEN1KMT2AFAAHNAAA
SCHEMBL8661731 0.81 ALDH1A1 (0.41) CNR1ALDH1A1MEN1KMT2ABLM
SCHEMBL1790228 0.80
SCHEMBL2016710 0.80 KMT2A (0.38) ALDH1A1MEN1KMT2ANAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951686-B1 QUINAZOLINE DERIVATIVES AS A MULTIPLEX INHIBITOR AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM IND CO LTD (KR) 2013-04-03 EP claimed
EP-1951686-B1 QUINAZOLINE DERIVATIVES AS A MULTIPLEX INHIBITOR AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM IND CO LTD (KR) 2013-04-03 EP disclosed
US-20110160180-A1 Cannabinoid Receptor Ligands ASTRAZENECA AB (SE) 2011-06-30 US disclosed
CN-101827838-A Cannabinoid receptor ligand ASTRAZENECA AB 2010-09-08 CN disclosed
EP-2190838-A1 CANNABINOID RECEPTOR LIGANDS AstraZeneca AB (SE) 2010-06-02 EP disclosed
US-20090062251-A1 Novel Compounds 002 ASTRAZENECA AB (SE) 2009-03-05 US disclosed
WO-2009024819-A1 CANNABINOID RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2009-02-26 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 (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-20090062251-A1 Novel Compounds 002 OPRL1, OPRK1, OPRM1 CNR1 17/4885ALDH1A1 517/4885MEN1 3055/4885
US-20110160180-A1 Cannabinoid Receptor Ligands CNR1, CNR2, OPRL1 CNR1 1/4885ALDH1A1 2240/4885MEN1 3215/4885

“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.