SCHEMBL4854256

SCHEMBL4854256

CC1(C)CC(c2ccccc2N2CCN(CCCF)CC2)CC(C)(C)C1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.44
DRD3 P35462 3/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
ADRA1B P35368 4/20 0.42
HTR1A P08908 3/20 0.42
ADRA1D P25100 3/20 0.39
ADRA1A P35348 3/20 0.39

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 SCHEMBL4854462 0.99 DRD2 (0.43) DRD2DRD3KDM4ELMNAADRA1B
SCHEMBL4855213 0.96 KDM4E (0.45) DRD2DRD3KDM4ELMNAADRA1B
Hydrochloric Acid SCHEMBL4857832 0.95 LMNA (0.44) DRD2DRD3KDM4ELMNAADRA1B
SCHEMBL4858220 0.93 HTR1A (0.43) DRD2DRD3KDM4ELMNAADRA1B
Hydrochloric Acid SCHEMBL4859556 0.91 HTR1A (0.42) DRD2DRD3KDM4ELMNAADRA1B
SCHEMBL4256037 0.89 KDM4E (0.53) DRD2DRD3KDM4ELMNAADRA1B
Hydrochloric Acid SCHEMBL4849863 0.88 KDM4E (0.52) DRD2DRD3KDM4ELMNAADRA1B
SCHEMBL4856124 0.87 KDM4E (0.41) DRD2DRD3KDM4ELMNAADRA1B
Hydrochloric Acid SCHEMBL4855361 0.87 KDM4E (0.57) DRD2DRD3KDM4ELMNAADRA1B
Hydrochloric Acid SCHEMBL4855797 0.86 KDM4E (0.40) DRD2DRD3KDM4ELMNAADRA1B

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 554/4885DRD3 315/4885KDM4E 3710/4885
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds CCR10, HRH3, HRH2 DRD2 528/4885DRD3 284/4885KDM4E 3582/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 DRD2 563/4885DRD3 224/4885KDM4E 3905/4885

“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.