SCHEMBL4256514

SCHEMBL4256514

CCCCN1CCN(c2c(NCC(=O)OC)cccc2C2=CCC(C(C)(C)C)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 9/20 0.37
DRD2 P14416 5/20 0.32
DRD3 P35462 5/20 0.32
DRD4 P21917 4/20 0.32
MT-CO2 P00403 1/20 0.32
HTR1A P08908 3/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 1/20 0.32
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32
ADRA2A P08913 1/20 0.31
DRD1 P21728 1/20 0.31
DRD5 P21918 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR7 P34969 2/20 0.31

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 SCHEMBL4256509 1.00 CHRM3 (0.37) CHRM3DRD2DRD3DRD4MT-CO2
SCHEMBL4249883 0.93 CHRM3 (0.39) CHRM3DRD2DRD3DRD4MT-CO2
Hydrochloric Acid SCHEMBL4251062 0.91 CHRM3 (0.36) CHRM3DRD2DRD3DRD4MT-CO2
SCHEMBL13806247 0.91 CHRM3 (0.36) CHRM3DRD2DRD3DRD4MT-CO2
SCHEMBL13806185 0.89 CHRM3 (0.35) CHRM3DRD2DRD3UBE2MDCUN1D1
Hydrochloric Acid SCHEMBL5056810 0.89 CHRM3 (0.35) CHRM3DRD2DRD3UBE2MDCUN1D1
Hydrochloric Acid SCHEMBL4407511 0.89 CHRM3 (0.35) CHRM3DRD2DRD3DRD4MT-CO2
SCHEMBL13806183 0.89 CHRM3 (0.35) CHRM3DRD2DRD3DRD4MT-CO2
SCHEMBL13816760 0.86 CHRM3 (0.37) CHRM3DRD2DRD3MT-CO2
SCHEMBL4260184 0.80 DRD2 (0.32) CHRM3DRD2DRD3DRD4HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 CHRM3 780/4885DRD2 746/4885DRD3 638/4885
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives CCR10, H1-10, CXCL10 CHRM3 616/4885DRD2 768/4885DRD3 610/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 CHRM3 216/4885DRD2 563/4885DRD3 224/4885

“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.