SCHEMBL4768929

SCHEMBL4768929

CCn1c(C)cc(=O)n(CC)c1=O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
KDM4E B2RXH2 6/20 0.44
LMNA P02545 1/20 0.44
HSD17B13 Q7Z5P4 1/20 0.41
CNR2 P34972 2/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADRA2A P08913 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL26940380 0.83 ALDH1A1 (0.50) POLBKDM4ELMNACNR2ALDH1A1
SCHEMBL3875250 0.83 ALDH1A1 (0.59) POLBKDM4ELMNAALDH1A1KMT2A
SCHEMBL9008078 0.79 POLB (0.47) POLBKDM4ELMNAHSD17B13CNR2
SCHEMBL4469156 0.78 CNR2 (0.49) POLBKDM4ECNR2ALDH1A1BCHE
SCHEMBL20942675 0.78 POLB (0.46) POLBKDM4ELMNAHSD17B13ALDH1A1
SCHEMBL15458739 0.78 KMT2A (0.62) POLBKDM4ELMNAHSD17B13CNR2
SCHEMBL11837808 0.77 POLB (0.64) POLBKDM4ELMNAALDH1A1MAPT
SCHEMBL2329963 0.76 ALDH1A1 (0.47) POLBKDM4EALDH1A1MAPTGAA
SCHEMBL4767726 0.75 CNR2 (0.57) POLBKDM4ECNR2ALDH1A1KMT2A
SCHEMBL26943125 0.75 HSD17B13 (0.56) POLBKDM4ELMNAHSD17B13CNR2

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-9834520-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-05 US disclosed
EP-2935278-B1 TRICYCLIC COMPOUNDS FOR INHIBITING THE CFTR CHANNEL NOVARTIS AG (CH) 2017-03-15 EP disclosed
US-20160229814-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-11 US disclosed
US-9359381-B2 Tricyclic compounds for inhibiting the CFTR channel NOVARTIS AG (CH) 2016-06-07 US disclosed
EP-2975031-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-01-20 EP disclosed
US-20150336986-A1 TRICYCLIC COMPOUNDS FOR INHIBITING THE CFTR CHANNEL NOVARTIS AG (CH) 2015-11-26 US disclosed
US-20140171417-A1 TRICYCLIC COMPOUNDS NOVARTIS AG (CH) 2014-06-19 US disclosed
EP-1678181-B1 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2008-12-31 EP disclosed
US-7449473-B2 Substituted pyrrolo[3,2-d]pyrimidin-2,4-diones as A2b adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2008-11-11 US disclosed
EP-1678181-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2006-07-12 EP disclosed
US-20050119287-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2005-06-02 US disclosed
WO-2005042534-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2005-05-12 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 (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-20050119287-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA3 POLB 1001/4885KDM4E 3386/4885LMNA 4664/4885
US-20160229814-A1 HETEROCYCLIC COMPOUND RORB, RORC, RORA POLB 4084/4885KDM4E 728/4885LMNA 4161/4885
US-20150336986-A1 TRICYCLIC COMPOUNDS FOR INHIBITING THE CFTR CHANNEL CFTR, SLC26A4, ABCB11 POLB 2449/4885KDM4E 4640/4885LMNA 2962/4885
US-20140171417-A1 TRICYCLIC COMPOUNDS SLC10A1, CYP11B2, CYP11B1 POLB 3924/4885KDM4E 3834/4885LMNA 2735/4885

“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.