SCHEMBL2025671

SCHEMBL2025671

CCNCC(=O)NCCCF

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CASP2 P42575 1/20 0.38
NAAA Q02083 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC6A5 Q9Y345 2/20 0.35
PAOX Q6QHF9 1/20 0.34
MCL1 Q07820 1/20 0.34
FAAH O00519 1/20 0.34
CNR1 P21554 1/20 0.34
EPHX1 P07099 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
SCHEMBL2016710 0.88 KMT2A (0.38) MEN1KMT2ACASP2NAAAALDH1A1
Hydrochloric Acid SCHEMBL2021168 0.86 KMT2A (0.37) MEN1KMT2ACASP2ALDH1A1SLC6A5
SCHEMBL19475788 0.83 CASP2 (0.50) MEN1KMT2ACASP2NAAAFAAH
SCHEMBL25716051 0.82 CASP2 (0.59) MEN1KMT2ACASP2NAAAFAAH
SCHEMBL2019288 0.82 MEN1 (0.46) MEN1KMT2ACASP2NAAAALDH1A1
SCHEMBL25091538 0.80 CASP2 (0.62) MEN1KMT2ACASP2NAAASLC6A5
SCHEMBL8121558 0.80 MEN1 (0.45) MEN1KMT2ACASP2NAAAALDH1A1
SCHEMBL8956580 0.80 MEN1 (0.45) MEN1KMT2ACASP2NAAAALDH1A1
SCHEMBL25122098 0.80 CASP2 (0.62) MEN1KMT2ACASP2NAAASLC6A5
SCHEMBL18602384 0.79 MCL1 (0.54) MEN1KMT2ACASP2NAAAALDH1A1

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-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 MEN1 3055/4885KMT2A 2567/4885CASP2 3328/4885
US-20110160180-A1 Cannabinoid Receptor Ligands CNR1, CNR2, OPRL1 MEN1 3215/4885KMT2A 2050/4885CASP2 4366/4885

“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.