SCHEMBL4857516

SCHEMBL4857516

CC(C)(C)OC(=O)N1CCN(c2ccccc2C2=CCC3(CC2)CC3)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 1/20 0.46
SMARCA4 P51532 1/20 0.46
PBRM1 Q86U86 1/20 0.46
BACE1 P56817 3/20 0.46
PDK2 Q15119 1/20 0.45
PDK4 Q16654 1/20 0.45
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
CYP11B2 P19099 1/20 0.43
KIT P10721 1/20 0.42
GPR119 Q8TDV5 1/20 0.41
CKS1B P61024 2/20 0.41
SKP1 P63208 2/20 0.41
SKP2 Q13309 2/20 0.41
AKT1 P31749 1/20 0.41
NAMPT P43490 1/20 0.41
GRM5 P41594 1/20 0.39
GRM1 Q13255 1/20 0.39
CHRM2 P08172 1/20 0.39

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
SCHEMBL4852924 0.96 SMARCA2 (0.45) SMARCA2SMARCA4PBRM1BACE1PDK2
SCHEMBL4860384 0.91 SMARCA2 (0.46) SMARCA2SMARCA4PBRM1BACE1PDK2
SCHEMBL4256134 0.86 SMARCA2 (0.44) SMARCA2SMARCA4PBRM1BACE1PDK2
SCHEMBL4849954 0.81 MAPT (0.46) PDK2ALDH1A1LMNAMAPTGPR119
SCHEMBL4851432 0.80 SMARCA2 (0.47) SMARCA2SMARCA4PBRM1BACE1PDK2
SCHEMBL4851427 0.80 SMARCA2 (0.47) SMARCA2SMARCA4PBRM1BACE1PDK2
SCHEMBL4848269 0.78 GAA (0.55) PDK2ALDH1A1LMNAMAPTGAA
SCHEMBL20818663 0.76 CKS1B (0.58) SMARCA2SMARCA4PBRM1BACE1PDK2
SCHEMBL4130415 0.76 SMARCA2 (0.46) SMARCA2SMARCA4PBRM1BACE1PDK2
Hydrochloric Acid SCHEMBL4855758 0.76 ALDH1A1 (0.40) ALDH1A1LMNAMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1698620-B1 BENZENE COMPOUNDS DISUBSTITUTED WITH CYCLIC GROUPS AT THE 1- AND 2-POSITIONS EISAI R&D MAN CO LTD (JP) 2016-09-28 EP disclosed
EP-1698620-B1 BENZENE COMPOUNDS DISUBSTITUTED WITH CYCLIC GROUPS AT THE 1- AND 2-POSITIONS EISAI R&D MAN CO LTD (JP) 2016-09-28 EP disclosed
US-7425554-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US disclosed
US-7425554-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US disclosed
US-7425554-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US disclosed
US-7410971-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-08-12 US disclosed
US-7410971-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-08-12 US disclosed
US-7410971-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-08-12 US disclosed
US-20070112002-A1 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-17 US disclosed
US-20070112002-A1 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-17 US disclosed
US-20070112002-A1 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-17 US disclosed
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-12-07 US disclosed
EP-1698620-A1 BENZENE COMPOUNDS DISUBSTITUTED WITH CYCLIC GROUPS AT THE 1- AND 2-POSITIONS Eisai Co., Ltd. (JP) 2006-09-06 EP disclosed
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 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 (3 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-20070112002-A1 1,2-di(cyclic)substituted benzene compounds CCR10, HRH3, HRH1 SMARCA2 884/4885SMARCA4 818/4885PBRM1 1182/4885
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds CCR10, HRH3, HRH2 SMARCA2 896/4885SMARCA4 857/4885PBRM1 1176/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 SMARCA2 1014/4885SMARCA4 934/4885PBRM1 1802/4885

“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.