SCHEMBL1660666

SCHEMBL1660666

NC(=O)C1(C(=O)OC2CCCCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.43
EPHX1 P07099 3/20 0.40
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
NAAA Q02083 2/20 0.35
HTT P42858 1/20 0.34
STS P08842 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRM3 P20309 1/20 0.33
CYP19A1 P11511 1/20 0.33
MAPT P10636 1/20 0.33
PRSS1 P07477 1/20 0.32
TPSAB1 Q15661 1/20 0.32
TPSD1 Q9BZJ3 1/20 0.32
TPSG1 Q9NRR2 1/20 0.32

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
SCHEMBL16086282 0.88 CYP2C19 (0.48) CYP2C19EPHX1CA1CA2CA12
SCHEMBL16086283 0.82 CYP2C19 (0.44) CYP2C19EPHX1CA1CA2CA12
SCHEMBL5493739 0.82 CYP2C19 (0.52) CYP2C19EPHX1CA1CA2CA12
SCHEMBL16086274 0.82 CYP2C19 (0.47) CYP2C19EPHX1CA1CA2CA12
SCHEMBL9485096 0.82 CYP2C19 (0.52) CYP2C19EPHX1CA1CA2CA12
SCHEMBL16086398 0.77 CYP2C19 (0.47) CYP2C19EPHX1CA1CA2CA12
SCHEMBL16086650 0.77 CYP2C19 (0.47) CYP2C19EPHX1CA1CA2CA12
SCHEMBL16086275 0.77 CYP2C19 (0.43) CYP2C19EPHX1CA1CA2CA12
SCHEMBL3781529 0.74 CYP2C19 (0.49) CYP2C19EPHX1CA1CA2CA12
SCHEMBL26276749 0.74 CYP2C19 (0.44) CYP2C19EPHX1CA1CA2CA12

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-7919133-B2 Substituted cyclopropanecarboxylic acid (3-methyl-cyclohexyl)amide as flavoring substance SYMRISE GMBH & CO. KG (DE) 2011-04-05 US disclosed
US-20080292763-A1 Substituted Cyclopropanecarboxylic acid (3-methyl-cyclohexyl)amide as flavoring substance SYMRISE GMBH & CO. KG (DE) 2008-11-27 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-20080292763-A1 Substituted Cyclopropanecarboxylic acid (3-methyl-cyclohexyl)amide as flavoring substance TAS1R1, TAS2R1, TAS1R3 CYP2C19 692/4885EPHX1 1402/4885CA1 375/4885

“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.