SCHEMBL17397408

SCHEMBL17397408

CC(C)(C)CCN(C(=O)O)c1nccs1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.38
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
FFAR2 O15552 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ADORA2A P29274 3/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
LMNA P02545 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
HDAC1 Q13547 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
NR3C1 P04150 1/20 0.33

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
SCHEMBL4539692 0.82 TRPM8 (0.40) TRPM8GAATSHRFFAR2ALDH1A1
SCHEMBL4994205 0.80 GAA (0.40) TRPM8GAATSHRFFAR2ALDH1A1
SCHEMBL4536011 0.79 GAA (0.39) TRPM8GAATSHRFFAR2ALDH1A1
SCHEMBL18764698 0.78 ALDH1A1 (0.41) TRPM8GAATSHRFFAR2ALDH1A1
SCHEMBL16529806 0.75 MLYCD (0.34) FFAR2LMNA
SCHEMBL2890584 0.73 ALDH1A1 (0.40) FFAR2ALDH1A1ADORA2ALMNAMEN1
SCHEMBL27888861 0.73 ARG1 (0.43) TRPM8GAATSHRFFAR2ALDH1A1
SCHEMBL27888865 0.73 ARG1 (0.43) TRPM8GAATSHRFFAR2ALDH1A1
SCHEMBL4994295 0.72 TRPM8 (0.40) TRPM8GAATSHRFFAR2ALDH1A1
SCHEMBL2936251 0.71 FFAR2 (0.49) TRPM8GAATSHRFFAR2ALDH1A1

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-20170137410-A1 FUSED CYCLOALKYL-PYRIMIDINE COMPOUNDS AND USES THEREOF MEDIVATION TECHNOLOGIES, INC (US) 2017-05-18 US disclosed
WO-2016003827-A2 FUSED CYCLOALKYL-PYRIMIDINE COMPOUNDS AND USES THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2016-01-07 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-20170137410-A1 FUSED CYCLOALKYL-PYRIMIDINE COMPOUNDS AND USES THEREOF DCK, DTYMK, TK1 TRPM8 2638/4885GAA 1192/4885TSHR 4034/4885

“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.