SCHEMBL2018904

SCHEMBL2018904

O=C(NC1CC1)C1CCCN(OC(=O)C(F)(F)F)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 4/20 0.40
TSHR P16473 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PIK3CD O00329 1/20 0.38
EPHX2 P34913 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 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
SCHEMBL610387 0.95 ALDH1A1 (0.50) ALDH1A1KMT2ATSHRGAAHSD17B10
SCHEMBL1609526 0.93 EPHX2 (0.39) ALDH1A1KMT2ATDP1GAAEPHX2
SCHEMBL2146182 0.90 EPHX2 (0.45) ALDH1A1KMT2AGAAEPHX2L3MBTL1
SCHEMBL1437590 0.81 EPHX2 (0.49) ALDH1A1GAAEPHX2L3MBTL1
SCHEMBL28172922 0.80 ALDH1A1 (0.38) ALDH1A1KMT2ATDP1GAAHSD17B10
SCHEMBL1609203 0.78 PIK3CD (0.39) PIK3CD
SCHEMBL27574900 0.77 NOS2 (0.36) GAAHSD17B10
SCHEMBL26599493 0.77 NOTUM (0.41) ALDH1A1SMN1; SMN2
SCHEMBL5908364 0.76 BCHE (0.43) ALDH1A1KMT2APIK3CDMEN1
SCHEMBL3332688 0.74 KDM4E (0.46) ALDH1A1KMT2ATSHRTDP1EPHX2

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 4 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
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 ALDH1A1 517/4885KMT2A 2567/4885TSHR 2124/4885
US-20110160180-A1 Cannabinoid Receptor Ligands CNR1, CNR2, OPRL1 ALDH1A1 2240/4885KMT2A 2050/4885TSHR 392/4885

“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.