SCHEMBL17020104

SCHEMBL17020104

CC(=O)OCC1CN(C)CCO1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 6/20 0.62
HRH3 Q9Y5N1 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.40
ALDH1A1 P00352 1/20 0.38
ACKR3 P25106 2/20 0.36
SLC6A2 P23975 1/20 0.36
NLRP3 Q96P20 2/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
SYK P43405 1/20 0.35

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
SCHEMBL29233712 0.85 PDK1 (0.47) PDK1HRH3IRAK4ALDH1A1ACKR3
SCHEMBL16770006 0.84 PDK1 (0.46) PDK1HRH3IRAK4ALDH1A1ACKR3
SCHEMBL16770005 0.84 PDK1 (0.46) PDK1HRH3IRAK4ACKR3SLC6A2
SCHEMBL16770003 0.83 PDK1 (0.45) PDK1HRH3IRAK4ACKR3SLC6A2
SCHEMBL14782902 0.81 PDK1 (0.72) PDK1HRH3ALDH1A1NLRP3SYK
SCHEMBL17014690 0.80 PDK1 (0.58) PDK1HRH3ALDH1A1NLRP3SYK
SCHEMBL14126497 0.80 PDK1 (0.58) PDK1ALDH1A1NLRP3LMNAPOLB
SCHEMBL16769863 0.79 PDK1 (0.42) PDK1HRH3IRAK4ALDH1A1ACKR3
SCHEMBL13887587 0.77 WNT1 (0.38) PDK1HRH3IRAK4ACKR3SLC6A2
SCHEMBL7925158 0.77 PDK1 (0.56) PDK1HRH3SLC6A2

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
EP-2884982-B1 SUBSTITUTED PHENYL SPLEEN TYROSINE KINASE (Syk) INHIBITORS MERCK SHARP & DOHME (US) 2017-09-20 EP disclosed
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 653/4885IRAK4 24/4885

“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.