SCHEMBL17040352

SCHEMBL17040352

CC(C)C(=O)NCCc1c[nH]c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.78
TRPM8 Q7Z2W7 3/20 0.75
LTA4H P09960 6/20 0.71
PLA2G2A P14555 6/20 0.71
POLB P06746 1/20 0.67
MTNR1A P48039 4/20 0.67
MTNR1B P49286 4/20 0.67
SPR P35270 1/20 0.65
KDM4E B2RXH2 1/20 0.62
MAPT P10636 1/20 0.62
HTR1D P28221 1/20 0.62
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
HSP90AA1 P07900 1/20 0.61
HSP90AB1 P08238 1/20 0.61
ABCG2 Q9UNQ0 1/20 0.60

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
SCHEMBL17037429 0.93 SIRT2 (0.74) SIRT2TRPM8LTA4HPLA2G2APOLB
SCHEMBL6923780 0.89 MTNR1A (0.82) SIRT2TRPM8LTA4HPLA2G2APOLB
SCHEMBL18222539 0.88 TRPM8 (0.75) SIRT2TRPM8LTA4HPLA2G2APOLB
SCHEMBL7723651 0.88 TRPM8 (0.78) SIRT2TRPM8LTA4HPLA2G2APOLB
SCHEMBL2841954 0.87 TRPM8 (0.75) SIRT2TRPM8LTA4HPLA2G2APOLB
SCHEMBL7731853 0.87 TRPM8 (0.77) SIRT2TRPM8LTA4HPLA2G2APOLB
SCHEMBL2413555 0.84 TRPM8 (0.81) SIRT2TRPM8LTA4HPLA2G2APOLB
SCHEMBL8206907 0.84 TRPM8 (0.73) SIRT2TRPM8LTA4HPLA2G2APOLB
SCHEMBL9121394 0.84 MTNR1A (0.71) SIRT2TRPM8LTA4HPLA2G2APOLB
SCHEMBL1771890 0.83 MTNR1A (0.80) POLBMTNR1AMTNR1BSPRKDM4E

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-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK CANADA INC. (CA) 2015-08-27 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-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, TYRO3 SIRT2 2868/4885TRPM8 4743/4885LTA4H 927/4885

“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.