SCHEMBL9716115

SCHEMBL9716115

CC(C)(C)N(C(=O)O)[C@@H](CN)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 2/20 0.42
GABBR2 O75899 2/20 0.42
GABBR1 Q9UBS5 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
TAAR1 Q96RJ0 4/20 0.40
HTR2A P28223 1/20 0.39
GAA P10253 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
ALOX5 P09917 1/20 0.38
AOC3 Q16853 1/20 0.38
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 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
SCHEMBL1231239 1.00 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3GABBR2GABBR1
SCHEMBL14909537 1.00 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3GABBR2GABBR1
SCHEMBL531655 0.85 RIPK1 (0.42) KDM4EATMGAATRPM8CHRNB2
SCHEMBL19305426 0.85 RIPK1 (0.42) KDM4EATMGAATRPM8CHRNB2
SCHEMBL19305428 0.85 RIPK1 (0.42) KDM4EATMGAATRPM8CHRNB2
SCHEMBL14910818 0.84 SMN1; SMN2 (0.40) SLC6A2SLC6A4SLC6A3L3MBTL1
SCHEMBL14910817 0.84 SMN1; SMN2 (0.40) SLC6A2SLC6A4SLC6A3L3MBTL1
SCHEMBL6324272 0.84 CYP2C19 (0.42) SLC6A3GABBR2GABBR1KDM4EATM
SCHEMBL4345757 0.83 TRPA1 (0.41) KDM4EATMGAATRPM8CHRNB2
SCHEMBL16674214 0.82 PNMT (0.52) SLC6A2SLC6A4ATMGAATRPM8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180312463-A1 Synthesis of Cyclohexane Carboxamide Derivatives Useful as Sensates in Consumer Products PROCTER & GAMBLE (US) 2018-11-01 US disclosed
US-20170057911-A1 SYNTHESIS OF ARYL CYCLOHEXANE CARBOXAMIDE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS PROCTER & GAMBLE (US) 2017-03-02 US disclosed
US-5087726-A Carbamate ACAT inhibitors WARNER-LAMBERT COMPANY (US) 1992-02-11 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 (2 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-20180312463-A1 Synthesis of Cyclohexane Carboxamide Derivatives Useful as Sensates in Consumer Products SRM, ACMSD, CUTA SLC6A2 2626/4885SLC6A4 1453/4885SLC6A3 2749/4885
US-20170057911-A1 SYNTHESIS OF ARYL CYCLOHEXANE CARBOXAMIDE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS CUTA, ACMSD, SRM SLC6A2 2833/4885SLC6A4 1740/4885SLC6A3 2818/4885

“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.