SCHEMBL4848370

SCHEMBL4848370

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.46
DRD3 P35462 10/20 0.46
HTR1A P08908 8/20 0.46
DRD4 P21917 8/20 0.46
DRD1 P21728 7/20 0.46
DRD5 P21918 7/20 0.46
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL27704579 0.87 DRD2 (0.46) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL4850522 0.87 DRD2 (0.44) DRD2DRD3HTR1ADRD4DRD1
SCHEMBL13806213 0.87 GRM2 (0.48) DRD2DRD3HTR1ADRD4DRD1
Hydrochloric Acid SCHEMBL4852278 0.86 DRD2 (0.45) DRD2DRD3HTR1ADRD4HTR2A
Hydrochloric Acid SCHEMBL4257242 0.86 GRM2 (0.47) DRD2DRD3HTR1ADRD4DRD1
Hydrochloric Acid SCHEMBL4856249 0.85 DRD2 (0.44) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL14123753 0.85 DRD2 (0.44) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL4257635 0.85 DRD2 (0.42) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL27671014 0.84 DRD2 (0.46) DRD2DRD3HTR1ADRD4HTR2A
Hydrochloric Acid SCHEMBL4860292 0.84 DRD2 (0.44) DRD2DRD3HTR1ADRD4HTR2A

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 16 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
CN-100526301-C 1, 2-di (cyclic) substituted benzene compounds EISAI R&D MAN CO LTD (JP) 2009-08-12 CN 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
CN-1902170-A 1, 2-di (cyclic) substituted benzene compounds EISAI R&D MAN CO LTD (JP) 2007-01-24 CN 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 554/4885DRD3 315/4885HTR1A 1433/4885
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds CCR10, HRH3, HRH2 DRD2 528/4885DRD3 284/4885HTR1A 1013/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 DRD2 563/4885DRD3 224/4885HTR1A 1192/4885

“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.