SCHEMBL4232995

SCHEMBL4232995

COc1cccc(-c2ccc(C(=O)NCc3cccc(O[C@H]4C[C@H]5CC[C@@H](C4)N5C)c3)nc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
MMP13 P45452 1/20 0.46
ROCK2 O75116 6/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CLK1 P49759 1/20 0.46
AURKA O14965 1/20 0.45
MAPT P10636 1/20 0.45
PRKACA P17612 5/20 0.45
PRKACG P22612 3/20 0.45
PRKACB P22694 3/20 0.45
ROCK1 Q13464 3/20 0.44
PRKX P51817 2/20 0.44
PRKCQ Q04759 2/20 0.44
GRK5 P34947 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL4232993 1.00 NAAA (0.47) NAAACHRM2CHRM1CHRM3MMP13
SCHEMBL13911548 1.00 NAAA (0.47) NAAACHRM2CHRM1CHRM3MMP13
SCHEMBL13911549 0.94 CHRM2 (0.46) NAAACHRM2CHRM1CHRM3MMP13
SCHEMBL4235782 0.94 CHRM2 (0.46) NAAACHRM2CHRM1CHRM3MMP13
SCHEMBL4235779 0.94 CHRM2 (0.46) NAAACHRM2CHRM1CHRM3MMP13
SCHEMBL4232681 0.92 OPRK1 (0.46) CHRM2CHRM1CHRM3MMP13ROCK2
SCHEMBL13911552 0.92 OPRK1 (0.46) CHRM2CHRM1CHRM3MMP13ROCK2
SCHEMBL4232683 0.92 OPRK1 (0.46) CHRM2CHRM1CHRM3MMP13ROCK2
SCHEMBL4239621 0.88 ROCK1 (0.48) NAAAMMP13ROCK2KDM4EHSD17B10
SCHEMBL14468237 0.86 NAAA (0.44) NAAAMMP13ROCK2KDM4EHSD17B10

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 NAAA 1327/4885CHRM2 592/4885CHRM1 935/4885

“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.