SCHEMBL2932224

SCHEMBL2932224

CC(C)(C)OC(=O)N1CCN(CCCN2CCOCC2)C(=O)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
USP2 O75604 1/20 0.49
RECQL P46063 1/20 0.41
DPP4 P27487 1/20 0.41
PIK3CD O00329 1/20 0.40
HDAC1 Q13547 1/20 0.39
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
TLR9 Q9NR96 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
POLB P06746 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
KMT2A Q03164 1/20 0.37
STAT3 P40763 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
THRB P10828 1/20 0.36
TLR8 Q9NR97 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL20523410 0.94 SMN1; SMN2 (0.52) SMN1; SMN2USP2RECQLDPP4PIK3CD
SCHEMBL1343264 0.89 HRH3 (0.42) SMN1; SMN2USP2CHRM2CHRM1KMT2A
SCHEMBL1344188 0.85 CHRM2 (0.39) CHRM2CHRM1KMT2ASTAT3THRB
SCHEMBL1344403 0.84 USP2 (0.41) SMN1; SMN2USP2PIK3CDCHRM2CHRM1
SCHEMBL15352401 0.83 SMN1; SMN2 (0.66) SMN1; SMN2USP2RECQLTLR9TLR7
SCHEMBL1583540 0.82 CNR2 (0.40) SMN1; SMN2USP2TLR8ALDH1A1LMNA
SCHEMBL18205300 0.81 NR1H2 (0.39) SMN1; SMN2USP2CHRM2CHRM1KMT2A
SCHEMBL7982635 0.81 NR1H2 (0.40) SMN1; SMN2USP2DPP4CHRM2CHRM1
SCHEMBL2932063 0.81 DPP4 (0.46) SMN1; SMN2DPP4HDAC1PARP1PARP2
SCHEMBL1341750 0.81 HRH3 (0.37) CHRM2CHRM1KMT2ACD274THRB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534695-B1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME (US) 2010-09-29 EP disclosed
US-20090186871-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2009-07-23 US disclosed
US-7560546-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-07-14 US disclosed
EP-1534695-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2008-06-11 EP disclosed
US-20050261496-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2005-11-24 US disclosed
EP-1534695-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2005-06-01 EP disclosed
WO-2004014851-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2004-02-19 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 (2 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-20050261496-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 SMN1; SMN2 4767/4885USP2 2116/4885RECQL 4642/4885
US-20090186871-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 SMN1; SMN2 4767/4885USP2 2116/4885RECQL 4642/4885

“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.