SCHEMBL3085985

SCHEMBL3085985

COC(=O)C1=C(c2ccc(CCCO[Si](C)(C)C(C)(C)C)cc2)CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 12/20 0.41
CHRM1 P11229 12/20 0.41
CHRM2 P08172 9/20 0.41
CHRM4 P08173 9/20 0.41
CHRM3 P20309 9/20 0.41
NR1H2 P55055 1/20 0.39
P2RX3 P56373 2/20 0.38
SLC6A2 P23975 1/20 0.37
ESR2 Q92731 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PKM P14618 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
SCHEMBL3096155 0.91 CHRM5 (0.39) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL5274358 0.87 NR1H2 (0.45) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL3044833 0.86 CHRM5 (0.43) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL5941865 0.82 CHRM5 (0.43) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL5272921 0.82 CHRM5 (0.39) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL9350724 0.82 GPR119 (0.47) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL4938707 0.82 NR1H2 (0.37) NR1H2HDAC1HDAC6PKM
SCHEMBL1751193 0.82 NR1H2 (0.43) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL4939372 0.81 PKM (0.36) NR1H2HDAC1HDAC6PKM
SCHEMBL5941620 0.81 MKNK1 (0.41) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES BEZENCON OLIVIER 2010-12-23 US disclosed
US-7799805-B2 Piperidine carboxylic acid amide derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-21 US disclosed
US-20080214598-A1 Novel Piperidine Carboxylic Acid Amide Derivatives ACTELION PHARMACEUTICALS LTD (CH) 2008-09-04 US disclosed
EP-1620403-B1 NOVEL 3,4-DISUBSTITUTED 1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-11-28 EP disclosed
US-20060235056-A1 Novel 3,4-disubstituted 1,2,3,6-tetrahydropyridine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2006-10-19 US disclosed
EP-1620403-A1 NOVEL 3,4-DISUBSTITUTED 1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2006-02-01 EP disclosed
US-20060009497-A1 Novel tetrahydropyridine derivatives as renin inhibitors ACTELION PHARMACEUTICALS, LTD. (CH) 2006-01-12 US disclosed
WO-2004105738-A2 USE OF TETRAHYDROPYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-12-09 WO disclosed
WO-2004096769-A1 NOVEL 3,4-DISUBSTITUTED 1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-11-11 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 (4 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-20080214598-A1 Novel Piperidine Carboxylic Acid Amide Derivatives REN, ACE, AGTR2 CHRM5 2088/4885CHRM1 1965/4885CHRM2 1927/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 CHRM5 1292/4885CHRM1 1234/4885CHRM2 1343/4885
US-20060009497-A1 Novel tetrahydropyridine derivatives as renin inhibitors REN, ACE, ACE2 CHRM5 1155/4885CHRM1 1851/4885CHRM2 2122/4885
US-20060235056-A1 Novel 3,4-disubstituted 1,2,3,6-tetrahydropyridine derivatives REN, ACE, ACE2 CHRM5 757/4885CHRM1 1380/4885CHRM2 1507/4885

“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.