SCHEMBL5058544

SCHEMBL5058544

CCCCN1CCN(c2ccc(N3CCC(=O)CC3)cc2C2CCC(C(C)(C)C)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.39
DRD3 P35462 5/20 0.39
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
DRD4 P21917 2/20 0.37
HTR1A P08908 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
BCL2A1 Q16548 1/20 0.37
TMEM97 Q5BJF2 2/20 0.36
SIGMAR1 Q99720 1/20 0.35

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 SCHEMBL4852081 0.89 DRD2 (0.41) DRD2DRD3KDM4EGAADRD4
SCHEMBL27725085 0.88 DRD2 (0.40) DRD2DRD3KDM4EGAADRD4
Hydrochloric Acid SCHEMBL4857316 0.88 DRD2 (0.40) DRD2DRD3KDM4EGAADRD4
SCHEMBL13806224 0.87 DRD2 (0.38) DRD2DRD3KDM4EGAADRD4
SCHEMBL18092166 0.87 KDM4E (0.40) DRD2DRD3KDM4EGAADRD4
SCHEMBL13806259 0.87 DRD2 (0.39) DRD2DRD3KDM4EGAADRD4
Hydrochloric Acid SCHEMBL4257962 0.86 DRD2 (0.38) DRD2DRD3KDM4EGAADRD4
Hydrochloric Acid SCHEMBL4856714 0.86 KDM4E (0.40) DRD2DRD3KDM4EGAADRD4
Hydrochloric Acid SCHEMBL4253779 0.86 DRD2 (0.39) DRD2DRD3KDM4EGAADRD4
Hydrochloric Acid SCHEMBL4855923 0.86 DRD2 (0.39) DRD2DRD3KDM4EGAADRD4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102040552-A 1, 2-di (cyclic group) substituted benzene derivative EISAI R&D MAN CO LTD 2011-05-04 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-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-18 US disclosed
CN-101175723-A 1, 2-di (cyclic group) substituted benzene derivative EISAI R&D MAN CO LTD (JP) 2008-05-07 CN disclosed
EP-1892238-A1 1, 2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2008-02-27 EP disclosed
EP-1892238-A1 1, 2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2008-02-27 EP 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

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-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE CCR10, H1-10, VCAM1 DRD2 746/4885DRD3 638/4885KDM4E 2662/4885
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives CCR10, H1-10, CXCL10 DRD2 768/4885DRD3 610/4885KDM4E 2695/4885
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.