SCHEMBL4256446

SCHEMBL4256446

CCCCN1CCC(c2ccccc2C2CC(C)(C)CC(C)(C)C2)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.49
SLC6A4 P31645 4/20 0.49
SIGMAR1 Q99720 8/20 0.45
HTR1A P08908 1/20 0.43
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43
DRD3 P35462 1/20 0.43
KCNH2 Q12809 1/20 0.43

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 SCHEMBL5014926 0.99 DRD2 (0.48) DRD2SLC6A4SIGMAR1HTR1ADRD1
SCHEMBL18092204 0.95 DRD2 (0.45) DRD2SLC6A4SIGMAR1DRD1DRD4
Hydrochloric Acid SCHEMBL4859844 0.94 DRD2 (0.44) DRD2SLC6A4SIGMAR1
Hydrochloric Acid SCHEMBL4854734 0.92 SIGMAR1 (0.51) DRD2SIGMAR1HTR1ADRD1DRD4
Hydrochloric Acid SCHEMBL4856113 0.90 DRD2 (0.57) DRD2SLC6A4SIGMAR1DRD3
Hydrochloric Acid SCHEMBL4856158 0.87 DRD2 (0.41) DRD2SLC6A4SIGMAR1
SCHEMBL14064783 0.86 DRD2 (0.48) DRD2SLC6A4HTR1ADRD1DRD4
Hydrochloric Acid SCHEMBL4856853 0.86 DRD2 (0.52) DRD2SLC6A4DRD1DRD4DRD5
Hydrochloric Acid SCHEMBL4856046 0.86 OPRM1 (0.41) DRD2SLC6A4SIGMAR1
Hydrochloric Acid SCHEMBL4849900 0.85 DRD2 (0.47) DRD2SLC6A4HTR1ADRD1DRD4

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 22 patents — showing the first 20. 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 claimed
US-7410971-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-08-12 US claimed
US-20070112002-A1 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-17 US claimed
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-12-07 US claimed
EP-1698620-A1 BENZENE COMPOUNDS DISUBSTITUTED WITH CYCLIC GROUPS AT THE 1- AND 2-POSITIONS Eisai Co., Ltd. (JP) 2006-09-06 EP claimed
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US claimed
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-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-18 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-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-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-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives EISAI R&D MANAGEMENT CO., LTD. 2006-12-14 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 (5 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-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE CCR10, H1-10, VCAM1 DRD2 746/4885SLC6A4 2189/4885SIGMAR1 934/4885
US-20070112002-A1 1,2-di(cyclic)substituted benzene compounds CCR10, HRH3, HRH1 DRD2 554/4885SLC6A4 3565/4885SIGMAR1 3357/4885
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives CCR10, H1-10, CXCL10 DRD2 768/4885SLC6A4 2066/4885SIGMAR1 706/4885
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds CCR10, HRH3, HRH2 DRD2 528/4885SLC6A4 3493/4885SIGMAR1 3149/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 DRD2 563/4885SLC6A4 3157/4885SIGMAR1 2556/4885

“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.