SCHEMBL4858142

SCHEMBL4858142

CCCCN1CCN(c2cc(OCC(=O)OCC)ccc2C2CCC(C(C)(C)C)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.40
PPARG P37231 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
DRD2 P14416 5/20 0.39
HTR2A P28223 3/20 0.39
DRD3 P35462 2/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
HRH2 P25021 7/20 0.38
HRH1 P35367 7/20 0.38
ATM Q13315 1/20 0.38
HTR1A P08908 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
Hydrochloric Acid SCHEMBL4858137 0.99 PPARA (0.40) PPARAPPARGTSHRMAPK1PSEN1
SCHEMBL13806181 0.89 DRD2 (0.38) DRD2HTR2ADRD3DRD1DRD4
Hydrochloric Acid SCHEMBL4257310 0.89 DRD2 (0.38) DRD2HTR2ADRD3DRD1DRD4
SCHEMBL27773178 0.88 DRD2 (0.43) TSHRDRD2HTR2ADRD3DRD4
Hydrochloric Acid SCHEMBL4853288 0.87 DRD2 (0.42) TSHRDRD2HTR2ADRD3DRD4
SCHEMBL13806180 0.87 HTR1A (0.42) TSHRDRD2HTR2ADRD3DRD4
Hydrochloric Acid SCHEMBL4253709 0.86 HTR1A (0.42) TSHRDRD2HTR2ADRD3DRD4
Hydrochloric Acid SCHEMBL27650951 0.84 DRD2 (0.39) DRD2HTR2ADRD3DRD4HRH2
SCHEMBL27671003 0.84 DRD2 (0.41) DRD2HTR2ADRD3DRD4HRH2
SCHEMBL27671014 0.83 DRD2 (0.46) DRD2HTR2ADRD3DRD4HTR1A

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 PPARA 1371/4885PPARG 1040/4885TSHR 2228/4885
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds CCR10, HRH3, HRH2 PPARA 1324/4885PPARG 1163/4885TSHR 2243/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 PPARA 2426/4885PPARG 1748/4885TSHR 2210/4885

“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.