SCHEMBL4860342

SCHEMBL4860342

CCC1(CC)CCC(c2cc(N3CCCC(OC)C3)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.39
PDK2 Q15119 1/20 0.39
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
GPR119 Q8TDV5 6/20 0.37
MAPT P10636 4/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
USP30 Q70CQ3 1/20 0.36
IDH1 O75874 1/20 0.36
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL4860338 1.00 PDE4B (0.39) PDE4BPDK2DDB1CRBNGPR119
SCHEMBL14064742 0.95 USP30 (0.40) PDE4BPDK2DDB1CRBNGPR119
SCHEMBL18092180 0.90 IDH1 (0.37) IDH1
SCHEMBL18092178 0.90 IDH1 (0.37) IDH1
SCHEMBL4848366 0.90 GPR119 (0.43) PDE4BPDK2DDB1CRBNGPR119
SCHEMBL4251415 0.84 DDB1 (0.37) PDK2DDB1CRBNGPR119MAPT
SCHEMBL4251411 0.84 DDB1 (0.37) PDK2DDB1CRBNGPR119MAPT
SCHEMBL14064718 0.84 GPR119 (0.47) PDK2DDB1CRBNGPR119MAPT
SCHEMBL4849367 0.82 IDH1 (0.36) MAPTALDH1A1IDH1SMN1; SMN2
SCHEMBL4849357 0.82 IDH1 (0.36) MAPTALDH1A1IDH1SMN1; SMN2

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-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-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-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 PDE4B 3630/4885PDK2 3693/4885DDB1 1174/4885
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds CCR10, HRH3, HRH2 PDE4B 3152/4885PDK2 3824/4885DDB1 1329/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 PDE4B 3720/4885PDK2 4210/4885DDB1 1708/4885

“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.