SCHEMBL13806089

SCHEMBL13806089

CN1CCOc2cc(N3CCN(CC4CC4)CC3)c(C3=CCC(C(C)(C)C)CC3)cc21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.33
DRD3 P35462 4/20 0.33
BRD1 O95696 1/20 0.33
TAF1 P21675 1/20 0.33
BRPF1 P55201 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HTR2A P28223 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
FGB P02675 1/20 0.32
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
POLB P06746 1/20 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 SCHEMBL5052310 1.00 DRD2 (0.33) DRD2DRD3BRD1TAF1BRPF1
Hydrochloric Acid SCHEMBL4258513 0.95 EBP (0.34) DRD2DRD3HTR1AADRA2AADRA2C
SCHEMBL13806093 0.95 EBP (0.34) DRD2DRD3HTR1AADRA2AADRA2C
SCHEMBL4260850 0.90 DRD2 (0.35) DRD2DRD3L3MBTL1FGBPOLB
Hydrochloric Acid SCHEMBL4252052 0.90 DRD2 (0.35) DRD2DRD3L3MBTL1FGBPOLB
Hydrochloric Acid SCHEMBL4256580 0.88 DRD2 (0.33) DRD2DRD3HTR1AHTR2ALMNA
Hydrochloric Acid SCHEMBL4254965 0.88 TDP1 (0.32) L3MBTL1FGBPOLB
SCHEMBL13806113 0.88 DRD2 (0.33) DRD2DRD3HTR1AHTR2ALMNA
SCHEMBL13806117 0.88 TDP1 (0.32) L3MBTL1FGBPOLB
Hydrochloric Acid SCHEMBL4260977 0.87 KDM4E (0.35) DRD2DRD3HTR1AHTR2ALMNA

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 638/4885BRD1 166/4885

“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.