SCHEMBL4886846

SCHEMBL4886846

CCCCN1CCC(c2cc(F)ccc2C2=CC(C)(C)CC(C)(C)C2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.44
SLC6A4 P31645 5/20 0.44
ASAH1 Q13510 1/20 0.39
ADRA1D P25100 2/20 0.39
HRH2 P25021 1/20 0.37
HTR1F P30939 1/20 0.37
GRM2 Q14416 1/20 0.37
HTR1A P08908 2/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36
HTR7 P34969 1/20 0.36
KCNH2 Q12809 1/20 0.36
CCR3 P51677 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 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
Hydrochloric Acid SCHEMBL4856217 0.99 DRD2 (0.43) DRD2SLC6A4ASAH1ADRA1DHRH2
Hydrochloric Acid SCHEMBL4857669 0.93 DRD2 (0.50) DRD2SLC6A4ASAH1ADRA1D
Hydrochloric Acid SCHEMBL4856512 0.86 DRD2 (0.41) DRD2SLC6A4HTR1ADRD1DRD4
Hydrochloric Acid SCHEMBL4853133 0.84 OPRM1 (0.42) DRD2SLC6A4GRM2KCNH2
Hydrochloric Acid SCHEMBL4855951 0.82 DRD2 (0.38) DRD2SLC6A4ADRA1D
Hydrochloric Acid SCHEMBL4853747 0.81 SIGMAR1 (0.44) DRD2HTR1ADRD1DRD4DRD5
Hydrochloric Acid SCHEMBL4850052 0.79 DRD2 (0.48) DRD2SLC6A4DRD3
Hydrochloric Acid SCHEMBL4848434 0.79 DRD2 (0.40) DRD2ADRA1DHTR1ADRD4DRD3
SCHEMBL18092197 0.78 SCD5 (0.36) ASAH1CHRM5CHRM1
SCHEMBL4849606 0.77 SLC6A2 (0.41) SLC6A4HTR1A

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 DRD2 554/4885SLC6A4 3565/4885ASAH1 1332/4885
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds CCR10, HRH3, HRH2 DRD2 528/4885SLC6A4 3493/4885ASAH1 1456/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 DRD2 563/4885SLC6A4 3157/4885ASAH1 1303/4885

“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.