SCHEMBL4253975

SCHEMBL4253975

COCCN1CCN(c2ccccc2C2CCC(C(C)(C)C)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.47
ADRA1B P35368 1/20 0.47
SIRT6 Q8N6T7 1/20 0.42
DRD2 P14416 7/20 0.41
DRD3 P35462 4/20 0.41
SIGMAR1 Q99720 2/20 0.41
NTSR1 P30989 1/20 0.40
DRD4 P21917 2/20 0.40
DRD1 P21728 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40

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 SCHEMBL4856241 0.99 HTR1A (0.46) HTR1AADRA1BSIRT6DRD2DRD3
Hydrochloric Acid SCHEMBL4854995 0.87 HTR1A (0.44) HTR1AADRA1BDRD2DRD3HTR2A
SCHEMBL27671025 0.86 HTR1A (0.46) HTR1AADRA1BDRD2SIGMAR1DRD4
Hydrochloric Acid SCHEMBL4859566 0.85 DRD2 (0.50) HTR1AADRA1BDRD2DRD3SIGMAR1
SCHEMBL4257570 0.84 KDM4E (0.53) HTR1AADRA1BDRD2DRD3SIGMAR1
SCHEMBL6022558 0.83 HTR1A (0.47) HTR1AADRA1BDRD2SIGMAR1
Hydrochloric Acid SCHEMBL5024773 0.83 KDM4E (0.52) HTR1AADRA1BDRD2DRD3SIGMAR1
SCHEMBL4849922 0.83 DRD4 (0.47) HTR1AADRA1BDRD2DRD4
Hydrochloric Acid SCHEMBL4856076 0.82 HTR1A (0.45) HTR1AADRA1BDRD2DRD3
Hydrochloric Acid SCHEMBL4849964 0.82 HTR1A (0.48) HTR1AADRA1BSIRT6DRD2DRD3

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 29 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
CN-100526301-C 1, 2-di (cyclic) substituted benzene compounds EISAI R&D MAN CO LTD (JP) 2009-08-12 CN 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
CN-1902170-A 1, 2-di (cyclic) substituted benzene compounds EISAI R&D MAN CO LTD (JP) 2007-01-24 CN 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
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
CN-102040552-A 1, 2-di (cyclic group) substituted benzene derivative EISAI R&D MAN CO LTD 2011-05-04 CN disclosed
CN-100526301-C 1, 2-di (cyclic) substituted benzene compounds EISAI R&D MAN CO LTD (JP) 2009-08-12 CN 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-20070112002-A1 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-17 US disclosed
CN-1902170-A 1, 2-di (cyclic) substituted benzene compounds EISAI R&D MAN CO LTD (JP) 2007-01-24 CN 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 HTR1A 721/4885ADRA1B 358/4885SIRT6 4417/4885
US-20070112002-A1 1,2-di(cyclic)substituted benzene compounds CCR10, HRH3, HRH1 HTR1A 1433/4885ADRA1B 304/4885SIRT6 4475/4885
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives CCR10, H1-10, CXCL10 HTR1A 769/4885ADRA1B 294/4885SIRT6 4427/4885
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds CCR10, HRH3, HRH2 HTR1A 1013/4885ADRA1B 250/4885SIRT6 4309/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 HTR1A 1192/4885ADRA1B 465/4885SIRT6 4474/4885

“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.