SCHEMBL10241496

SCHEMBL10241496

CN1CCOC2(CCN(Cc3cccc(CC=O)c3)CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 12/20 0.44
CHRM3 P20309 12/20 0.44
MGLL Q99685 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
OPRM1 P35372 1/20 0.41
NCF1 P14598 1/20 0.41
NOS1 P29475 1/20 0.39
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL2138527 0.78 CHRM2 (0.55) CHRM2CHRM3
SCHEMBL2142563 0.76 CHRM2 (0.55) CHRM2CHRM3
SCHEMBL2142187 0.72 CHRM2 (0.69) CHRM2CHRM3
SCHEMBL18719631 0.72 MGLL (0.58) CHRM2CHRM3MGLLSIGMAR1OPRM1
SCHEMBL13850447 0.69 KDM4E (0.41) ALDH1A1
SCHEMBL17319006 0.68 SIGMAR1 (0.53) CHRM2CHRM3MGLLSIGMAR1OPRM1
SCHEMBL17318952 0.68 SIGMAR1 (0.58) CHRM2MGLLSIGMAR1OPRM1KCNH2
SCHEMBL20025015 0.68 MGLL (0.36) CHRM2CHRM3MGLLSIGMAR1KCNH2
SCHEMBL2141024 0.67 CHRM2 (0.49) CHRM2CHRM3MGLL
SCHEMBL26552039 0.67 MGLL (0.60) CHRM2CHRM3MGLLSIGMAR1OPRM1

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-8629271-B2 Compounds ASTRAZENECA AB (GB) 2014-01-14 US disclosed
US-20120322788-A1 Compouds PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-12-20 US disclosed
US-8148373-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 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-20120322788-A1 Compouds PKD1, SBDS, ABCB11 CHRM2 3668/4885CHRM3 4265/4885MGLL 4101/4885
US-20090298807-A1 Compounds PKD1, SLC10A1, ABCB11 CHRM2 2419/4885CHRM3 2714/4885MGLL 3335/4885

“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.