SCHEMBL17014690

SCHEMBL17014690

CC(=O)OCC1CN(C(C)C)CCO1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 5/20 0.58
HRH3 Q9Y5N1 4/20 0.53
CCR2 P41597 1/20 0.39
KCNH2 Q12809 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
P2RX3 P56373 2/20 0.35
P2RX2 Q9UBL9 2/20 0.35
ALDH1A1 P00352 1/20 0.35
EPHA2 P29317 2/20 0.33
KDR P35968 2/20 0.33
EPHB4 P54760 2/20 0.33
ERBB2 P04626 1/20 0.33
SYK P43405 1/20 0.33
NLRP3 Q96P20 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
SCHEMBL16768023 0.88 HRH3 (0.53) PDK1HRH3CCR2KCNH2NPSR1
SCHEMBL16768128 0.85 HRH3 (0.51) PDK1HRH3CCR2KCNH2NPSR1
SCHEMBL16768019 0.85 HRH3 (0.51) PDK1HRH3CCR2KCNH2NPSR1
SCHEMBL16768026 0.84 HRH3 (0.50) PDK1HRH3CCR2KCNH2NPSR1
SCHEMBL16767981 0.83 HRH3 (0.49) PDK1HRH3CCR2KCNH2NPSR1
SCHEMBL26723897 0.82 HRH3 (0.51) PDK1HRH3CCR2KCNH2NPSR1
SCHEMBL26723898 0.80 HRH3 (0.49) PDK1HRH3CCR2KCNH2NPSR1
SCHEMBL17020104 0.80 PDK1 (0.62) PDK1HRH3ALDH1A1SYKNLRP3
SCHEMBL16369427 0.80 HRH3 (0.47) PDK1HRH3CCR2KCNH2NPSR1
SCHEMBL20179866 0.79 HRH3 (0.54) PDK1HRH3CCR2KCNH2NPSR1

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-9353066-B2 Substituted phenyl-Spleen Tyrosine Kinase (Syk) inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-31 US disclosed
US-20150232428-A1 SUBSTITUTED PHENYL-SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK CANADA INC. (CA) 2015-08-20 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-20150232428-A1 SUBSTITUTED PHENYL-SPLEEN TYROSINE KINASE (SYK) INHIBITORS SYK, BTK, LYN PDK1 721/4885HRH3 653/4885CCR2 662/4885

“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.