SCHEMBL5941865

SCHEMBL5941865

COC(=O)C1=C(c2ccc(CCCOc3ccccc3Cl)cc2)CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 15/20 0.43
CHRM1 P11229 15/20 0.43
CHRM2 P08172 9/20 0.43
CHRM4 P08173 9/20 0.43
CHRM3 P20309 9/20 0.43
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
REN P00797 1/20 0.39
P2RX3 P56373 2/20 0.38

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
SCHEMBL5942308 0.92 CHRM5 (0.42) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL5941620 0.85 MKNK1 (0.41) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL5274358 0.84 NR1H2 (0.45) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL5941924 0.84 MKNK1 (0.40) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL3085985 0.82 CHRM5 (0.41) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL5272921 0.81 CHRM5 (0.39) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL9350724 0.80 GPR119 (0.47) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL3197517 0.79 SLC6A3 (0.54) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL6418231 0.79 CHRM5 (0.59) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL5942384 0.79 CHRM5 (0.40) CHRM5CHRM1CHRM2CHRM4CHRM3

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-20060009497-A1 Novel tetrahydropyridine derivatives as renin inhibitors ACTELION PHARMACEUTICALS, LTD. (CH) 2006-01-12 US disclosed
EP-1519920-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2005-04-06 EP disclosed
WO-2004105738-A2 USE OF TETRAHYDROPYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-12-09 WO disclosed
WO-2004002957-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2004-01-08 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 (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-20060009497-A1 Novel tetrahydropyridine derivatives as renin inhibitors REN, ACE, ACE2 CHRM5 1155/4885CHRM1 1851/4885CHRM2 2122/4885

“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.