SCHEMBL1551165

SCHEMBL1551165

CC(=O)O[C@H]1CCCC[C@@H]1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.41
CHRM2 P08172 5/20 0.40
CHRM1 P11229 3/20 0.40
CHRM4 P08173 2/20 0.40
CHRM3 P20309 2/20 0.40
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 1/20 0.39
SERPINE1 P05121 2/20 0.33
CYP19A1 P11511 2/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
METAP2 P50579 1/20 0.31
NPY1R P25929 1/20 0.31
NPY2R P49146 1/20 0.31
NPY4R P50391 1/20 0.31
NPY5R Q15761 1/20 0.31
EPHX1 P07099 1/20 0.31

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
SCHEMBL1551795 1.00 SLC18A3 (0.41) SLC18A3CHRM2CHRM1CHRM4CHRM3
SCHEMBL111167 1.00 SLC18A3 (0.41) SLC18A3CHRM2CHRM1CHRM4CHRM3
SCHEMBL1551796 1.00 SLC18A3 (0.41) SLC18A3CHRM2CHRM1CHRM4CHRM3
SCHEMBL1551168 1.00 SLC18A3 (0.41) SLC18A3CHRM2CHRM1CHRM4CHRM3
SCHEMBL4148362 1.00 SLC18A3 (0.41) SLC18A3CHRM2CHRM1CHRM4CHRM3
Acetic Acid SCHEMBL15140949 0.96 SLC18A3 (0.42) SLC18A3CHRM2CHRM1CHRM4CHRM3
SCHEMBL15187679 0.96 CHRM2 (0.43) SLC18A3CHRM2CHRM1CHRM4CHRM3
SCHEMBL29155391 0.87 MAPT (0.43) SLC18A3CHRM2CHRM1CHRM4CHRM3
SCHEMBL1472615 0.86 EPHX1 (0.35) SERPINE1CYP19A1NPY1RNPY2RNPY4R
SCHEMBL29446936 0.84 SLC18A3 (0.36) SLC18A3CHRM2CHRM1CHRM4CHRM3

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
EP-2211829-B1 IMPROVEMENT OF THE FRAGRANCE EFFECT OF PERFUME ESTERS HENKEL AG & CO KGAA (DE) 2011-04-27 EP claimed
US-20100210496-A1 Fragrance Effect of Perfume Esters BESSLER CORNELIUS 2010-08-19 US claimed
US-11744785-B2 Use of volatile compositions to limit or eliminate the perception of malodor FIRMENICH SA (CH) 2023-09-05 US disclosed
US-20230233425-A1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR FIRMENICH SA (CH) 2023-07-27 US disclosed
US-20200345601-A1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR FIRMENICH SA (CH) 2020-11-05 US disclosed
US-8557832-B2 Aryl methyl benzoquinazolinine M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2013-10-15 US disclosed
US-20110224198-A1 ARYL METHYL BENZOQUINAZOLININE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2011-09-15 US disclosed
US-20100210496-A1 Fragrance Effect of Perfume Esters BESSLER CORNELIUS 2010-08-19 US disclosed
US-4874473-A ADDING ADJUVANT TO CHANGE VAPOR PRESSURE, IMPROVE RESOLUTION BAYER AKTIENGESELLSCHAFT (DE) 1989-10-17 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 (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-11744785-B2 Use of volatile compositions to limit or eliminate the perception of malodor TAS2R8, TRPA1, TAS2R10 SLC18A3 159/4885CHRM2 107/4885CHRM1 93/4885
US-20110224198-A1 ARYL METHYL BENZOQUINAZOLININE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, CHRM2 SLC18A3 848/4885CHRM2 3/4885CHRM1 1/4885
US-20200345601-A1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR TAS2R8, TRPA1, TAS2R10 SLC18A3 159/4885CHRM2 107/4885CHRM1 93/4885
US-20230233425-A1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR TAS2R8, TRPA1, TAS2R10 SLC18A3 159/4885CHRM2 107/4885CHRM1 93/4885

“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.