SCHEMBL7137889

SCHEMBL7137889

CCN(CC)CCC(=O)NC(C)C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
FAAH O00519 1/20 0.52
MAPK1 P28482 1/20 0.52
TERT O14746 7/20 0.44
HRH3 Q9Y5N1 1/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
DNMT1 P26358 1/20 0.39
RAD52 P43351 1/20 0.39
SMARCA2 P51531 1/20 0.39
HPGD P15428 1/20 0.38
PAOX Q6QHF9 1/20 0.37
HTT P42858 1/20 0.36
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL5097227 0.82 TERT (0.41) MEN1KMT2AFAAHMAPK1TERT
SCHEMBL5097235 0.82 CNR2 (0.45) MEN1KMT2ATERTTSHRALDH1A1
SCHEMBL18251207 0.82 MEN1 (0.50) MEN1KMT2AFAAHMAPK1TSHR
SCHEMBL21515913 0.81 MEN1 (0.39) MEN1KMT2AFAAHMAPK1TERT
SCHEMBL27721819 0.80 TERT (0.42) MEN1KMT2AFAAHMAPK1TERT
SCHEMBL7724917 0.78 ALDH1A1 (0.50) MEN1KMT2AFAAHMAPK1HRH3
SCHEMBL25945503 0.78 KMT2A (0.50) MEN1KMT2AFAAHMAPK1TSHR
SCHEMBL7132152 0.78 MEN1 (0.50) MEN1KMT2AFAAHMAPK1TERT
SCHEMBL5909062 0.77 MEN1 (0.62) MEN1KMT2AFAAHMAPK1TSHR
SCHEMBL8165555 0.76 LMNA (0.44) MEN1KMT2ATERTTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS NUVATION BIO INC (US) 2021-09-23 US disclosed
US-11028058-B2 Heterocyclic compounds as adenosine antagonists NUVATION BIO INC. (US) 2021-06-08 US disclosed
US-20210115013-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-04-22 US disclosed
US-20200316051-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-10-08 US disclosed
US-10696649-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2020-06-30 US disclosed
US-20200095222-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-03-26 US disclosed
US-10544122-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2020-01-28 US disclosed
US-20190330183-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-10-31 US disclosed
US-10399957-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2019-09-03 US disclosed
US-20190023666-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-01-24 US disclosed
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-06-22 US disclosed
WO-2017106607-A1 POLYCYCLIC TLR7/8 ANTAGONISTS AND USE THEREOF IN THE TREATMENT OF IMMUNE DISORDERS MERCK PATENT GMBH (DE) 2017-06-22 WO disclosed
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-06-22 US disclosed
US-20100105683-A1 COMPOUNDS USEFUL FOR INHIBITING CHK1 KEEGAN KATHLEEN S 2010-04-29 US disclosed
US-7608618-B2 Urea or thiourea substituted 1,4-pyrazine compounds useful as anti-cancer agents and for inhibiting Chk1 ICOS CORPORATION (US) 2009-10-27 US disclosed
US-6506939-B1 Producing N-substituted acrylamides and tertiary amines CIBA SPECIALTY CHEMICALS WATER TREATMENTS LTD. (GB) 2003-01-14 US disclosed
CN-1345302-A Method for producing acrylic acid monomer CIBA SPEC CHEM WATER TREAT LTD (GB) 2002-04-17 CN disclosed
EP-1140797-A1 PRODUCTION OF ACRYLIC MONOMERS Ciba Specialty Chemicals Water Treatments Limited (GB) 2001-10-10 EP disclosed
WO-2000041996-A1 PRODUCTION OF ACRYLIC MONOMERS CIBA SPECIALTY CHEMICALS WATER TREATMENTS LIMITED (GB) 2000-07-20 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 (12 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-20190330183-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 MEN1 4517/4885KMT2A 1063/4885FAAH 1883/4885
US-20100105683-A1 COMPOUNDS USEFUL FOR INHIBITING CHK1 CHEK1, PCNA, CHEK2 MEN1 1983/4885KMT2A 1546/4885FAAH 3755/4885
US-20200316051-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 MEN1 1719/4885KMT2A 1879/4885FAAH 742/4885
US-20190023666-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 MEN1 2327/4885KMT2A 2807/4885FAAH 1870/4885
US-20210115013-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 MEN1 4632/4885KMT2A 1152/4885FAAH 2173/4885
US-11028058-B2 Heterocyclic compounds as adenosine antagonists ADORA2A, ADORA3, ADORA1 MEN1 2327/4885KMT2A 2807/4885FAAH 1870/4885
US-10544122-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 MEN1 4517/4885KMT2A 1063/4885FAAH 1883/4885
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 MEN1 2327/4885KMT2A 2807/4885FAAH 1870/4885
US-20200095222-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 MEN1 4517/4885KMT2A 1063/4885FAAH 1883/4885
US-10399957-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 MEN1 4690/4885KMT2A 1153/4885FAAH 1409/4885
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 MEN1 4690/4885KMT2A 1153/4885FAAH 1409/4885
US-10696649-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 MEN1 4517/4885KMT2A 1063/4885FAAH 1883/4885

“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.