SCHEMBL2016008

SCHEMBL2016008

O=C(O)c1ccc2[nH]c3c(c2c1)CC(C1CCOCC1)CC3

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.65
HTR1B P28222 3/20 0.53
MAPT P10636 3/20 0.52
POLB P06746 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HTR1A P08908 2/20 0.52
HTR1D P28221 1/20 0.52
MEN1 O00255 2/20 0.50
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
HTR1E P28566 1/20 0.48
HTR7 P34969 1/20 0.48
OPRM1 P35372 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
PARP1 P09874 1/20 0.42

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
SCHEMBL2016322 0.88 KMT2A (0.68) KMT2AHTR1BMAPTPOLBHSD17B10
SCHEMBL2020894 0.87 HTR1B (0.56) KMT2AHTR1BMAPTPOLBHTR1A
SCHEMBL12574208 0.87 KMT2A (0.69) KMT2AHTR1BMAPTHTR1AHTR1D
SCHEMBL12574206 0.87 KMT2A (0.69) KMT2AHTR1BMAPTHTR1AHTR1D
SCHEMBL2018573 0.87 KMT2A (0.69) KMT2AHTR1BMAPTHTR1AHTR1D
SCHEMBL2020454 0.87 KMT2A (0.52) KMT2AHTR1BL3MBTL1HTR1AHTR1D
SCHEMBL2018028 0.82 KMT2A (0.45) KMT2AHTR1BMAPTPOLBTDP1
SCHEMBL2048465 0.80 HTR1B (0.45) KMT2AHTR1BMAPTPOLBHTR1A
SCHEMBL2020998 0.80 CNR1 (0.49) KMT2AHTR1BHTR1AHTR1DMEN1
SCHEMBL2045339 0.80 KMT2A (0.45) KMT2AHTR1BL3MBTL1HTR1AHTR1D

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 9 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
US-20110160180-A1 Cannabinoid Receptor Ligands ASTRAZENECA AB (SE) 2011-06-30 US disclosed
US-20110160180-A1 Cannabinoid Receptor Ligands ASTRAZENECA AB (SE) 2011-06-30 US 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
US-20090062251-A1 Novel Compounds 002 ASTRAZENECA AB (SE) 2009-03-05 US 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
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 KMT2A 2567/4885HTR1B 269/4885MAPT 2916/4885
US-20110160180-A1 Cannabinoid Receptor Ligands CNR1, CNR2, OPRL1 KMT2A 2050/4885HTR1B 159/4885MAPT 3104/4885

“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.