SCHEMBL4132931

SCHEMBL4132931

CC(C)(C)OC(=O)NC1CCCc2cc(/C=C/C#N)ccc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 4/20 0.37
TAS1R3 Q7RTX0 3/20 0.37
TAS1R1 Q7RTX1 3/20 0.37
LMNA P02545 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TAS1R2 Q8TE23 2/20 0.37
MAPT P10636 1/20 0.36
DRD2 P14416 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
SCHEMBL4132933 1.00 KMT2A (0.39) KMT2AMEN1SMN1; SMN2ALDH1A1TAS1R3
SCHEMBL13936481 1.00 KMT2A (0.39) KMT2AMEN1SMN1; SMN2ALDH1A1TAS1R3
SCHEMBL4532895 1.00 KMT2A (0.39) KMT2AMEN1SMN1; SMN2ALDH1A1TAS1R3
SCHEMBL4532901 1.00 KMT2A (0.39) KMT2AMEN1SMN1; SMN2ALDH1A1TAS1R3
SCHEMBL1724063 0.85 MEN1 (0.41) KMT2AMEN1SMN1; SMN2ALDH1A1TAS1R3
SCHEMBL1724065 0.85 MEN1 (0.41) KMT2AMEN1SMN1; SMN2ALDH1A1TAS1R3
SCHEMBL13936482 0.85 MEN1 (0.41) KMT2AMEN1SMN1; SMN2ALDH1A1TAS1R3
SCHEMBL21178487 0.82 LMNA (0.50) KMT2AMEN1ALDH1A1TAS1R3TAS1R1
SCHEMBL1822267 0.80 TTR (0.42) SMN1; SMN2ALDH1A1MAPT
SCHEMBL21183420 0.79 LMNA (0.51) KMT2AMEN1ALDH1A1TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054460-A1 Piperazine derivatives and methods of use CHEN JIAN J 2009-02-26 US disclosed
US-20090048224-A1 COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2009-02-19 US disclosed
US-20090048224-A1 COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2009-02-19 US disclosed
US-7425631-B2 Compounds and methods of use AMGEN INC. (US) 2008-09-16 US disclosed
US-7425631-B2 Compounds and methods of use AMGEN INC. (US) 2008-09-16 US disclosed
US-7393852-B2 Piperazine derivatives and methods of use AMGEN INC. (US) 2008-07-01 US disclosed
EP-1656355-B1 PIPERAZINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2008-03-12 EP disclosed
EP-1878728-A2 Derivatives of piperazine and higher homologues thereof for the treatment of inflammation-related disorders Amgen Inc. (US) 2008-01-16 EP disclosed
US-7199244-B2 Cyclic amine derivatives and methods of use AMGEN (US) 2007-04-03 US disclosed
US-7199244-B2 Cyclic amine derivatives and methods of use AMGEN (US) 2007-04-03 US disclosed
US-20050124654-A1 Compounds and methods of use AMGEN INC. 2005-06-09 US disclosed
US-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects AMGEN INC. 2005-01-20 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 (4 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-20050124654-A1 Compounds and methods of use LTC4S, PTGES, LTB4R2 KMT2A 4129/4885MEN1 3392/4885SMN1; SMN2 1190/4885
US-20090048224-A1 COMPOUNDS AND METHODS OF USE LTC4S, PTGES, LTB4R2 KMT2A 4129/4885MEN1 3392/4885SMN1; SMN2 1190/4885
US-20090054460-A1 Piperazine derivatives and methods of use PTGES, PTGES2, PTGIS KMT2A 2982/4885MEN1 4726/4885SMN1; SMN2 1545/4885
US-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects ACHE, TNF, BCHE KMT2A 3615/4885MEN1 3223/4885SMN1; SMN2 618/4885

“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.