SCHEMBL4257570

SCHEMBL4257570

CCCCN1CCN(c2ccccc2C2CCC(C(C)(C)C)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
DRD2 P14416 8/20 0.52
DRD3 P35462 6/20 0.52
HTR1A P08908 3/20 0.48
ADRA1B P35368 1/20 0.47
DRD4 P21917 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
KDM1A O60341 1/20 0.43
SIGMAR1 Q99720 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 SCHEMBL5024773 0.99 KDM4E (0.52) KDM4ELMNADRD2DRD3HTR1A
Hydrochloric Acid SCHEMBL4854367 0.95 KDM4E (0.57) KDM4ELMNADRD2DRD3HTR1A
Hydrochloric Acid SCHEMBL4859566 0.91 DRD2 (0.50) KDM4ELMNADRD2DRD3HTR1A
Hydrochloric Acid SCHEMBL4855980 0.88 KDM4E (0.51) KDM4ELMNADRD2DRD3HTR1A
Hydrochloric Acid SCHEMBL4849960 0.86 KDM4E (0.52) KDM4ELMNADRD2DRD3HTR1A
SCHEMBL4256411 0.86 DRD2 (0.45) KDM4ELMNADRD2DRD3HTR1A
Hydrochloric Acid SCHEMBL4852465 0.86 HTR1A (0.44) KDM4ELMNADRD2DRD3HTR1A
Hydrochloric Acid SCHEMBL4854995 0.86 HTR1A (0.44) KDM4ELMNADRD2DRD3HTR1A
Hydrochloric Acid SCHEMBL4856224 0.86 HTR1A (0.44) KDM4ELMNADRD2DRD3HTR1A
Hydrochloric Acid SCHEMBL4856076 0.86 HTR1A (0.45) KDM4ELMNADRD2DRD3HTR1A

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 KDM4E 2662/4885LMNA 3467/4885DRD2 746/4885
US-20070112002-A1 1,2-di(cyclic)substituted benzene compounds CCR10, HRH3, HRH1 KDM4E 3710/4885LMNA 4851/4885DRD2 554/4885
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives CCR10, H1-10, CXCL10 KDM4E 2695/4885LMNA 3212/4885DRD2 768/4885
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds CCR10, HRH3, HRH2 KDM4E 3582/4885LMNA 4842/4885DRD2 528/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 KDM4E 3905/4885LMNA 4801/4885DRD2 563/4885

“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.