SCHEMBL16751027

SCHEMBL16751027

CC(=O)N(C)C(C1CC1)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.35
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHRM2 P08172 3/20 0.31
CHRM4 P08173 3/20 0.31
CHRM5 P08912 3/20 0.31
CHRM1 P11229 3/20 0.31
CHRM3 P20309 3/20 0.31

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
SCHEMBL18560314 0.70 EPHX1 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL20982376 0.69 EPHX1 (0.39)
SCHEMBL9347148 0.66 CPN1 (0.38) ALOX5
SCHEMBL9965978 0.66 CHRNB2 (0.30) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2785653 0.64 CHRM2 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL498297 0.64
SCHEMBL25278527 0.63 ALOX5 (0.48) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL25278526 0.63 ALOX5 (0.48) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL18466909 0.61
SCHEMBL8221605 0.61

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-2863916-B1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK SHARP & DOHME (US) 2018-07-18 EP disclosed
US-9376418-B2 Substituted pyridine spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2016-06-28 US disclosed
US-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK CANADA INC. (CA) 2015-05-28 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-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS SYK, BTK, LYN ALOX5 2996/4885CHRNB2 4420/4885CHRNB4 4331/4885

“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.