SCHEMBL4235779

SCHEMBL4235779

COc1ccc(-c2ccc(C(=O)NCc3cccc(O[C@@H]4C[C@H]5CC[C@@H](C4)N5C)c3)nc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 2/20 0.46
MMP13 P45452 2/20 0.45
ROCK1 Q13464 3/20 0.45
PRKACA P17612 3/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
PRKX P51817 2/20 0.45
PRKCQ Q04759 2/20 0.45
ROCK2 O75116 2/20 0.45
CYP2D6 P10635 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
OPRK1 P41145 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CLK1 P49759 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL13911549 1.00 CHRM2 (0.46) CHRM2CHRM1CHRM3MMP13ROCK1
SCHEMBL4235782 1.00 CHRM2 (0.46) CHRM2CHRM1CHRM3MMP13ROCK1
SCHEMBL4232995 0.94 NAAA (0.47) CHRM2CHRM1CHRM3MMP13ROCK1
SCHEMBL13911548 0.94 NAAA (0.47) CHRM2CHRM1CHRM3MMP13ROCK1
SCHEMBL4232993 0.94 NAAA (0.47) CHRM2CHRM1CHRM3MMP13ROCK1
SCHEMBL4232683 0.93 OPRK1 (0.46) CHRM2CHRM1CHRM3MMP13ROCK1
SCHEMBL13911552 0.93 OPRK1 (0.46) CHRM2CHRM1CHRM3MMP13ROCK1
SCHEMBL4232681 0.93 OPRK1 (0.46) CHRM2CHRM1CHRM3MMP13ROCK1
SCHEMBL4232899 0.88 ROCK1 (0.46) MMP13ROCK1PRKACACYP3A4CYP2C9
SCHEMBL4927015 0.88 ROCK2 (0.57) CHRM2CHRM1CHRM3MMP13ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076064-A1 Compounds ASTRAZENECA AB (SE) 2009-03-19 US claimed
US-20090076064-A1 Compounds ASTRAZENECA AB (SE) 2009-03-19 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 (1 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-20090076064-A1 Compounds CEL, PLA2G2D, CCKBR CHRM2 592/4885CHRM1 935/4885CHRM3 1512/4885

“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.