SCHEMBL4256046

SCHEMBL4256046

CCCCN1CCN(c2cc([N+](=O)[O-])ccc2OC)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.60
DRD3 P35462 3/20 0.60
LMNA P02545 3/20 0.56
HTR1A P08908 4/20 0.55
GAA P10253 1/20 0.55
ADRA1D P25100 2/20 0.53
ADRA1A P35348 2/20 0.53
ADRA1B P35368 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HTR2A P28223 2/20 0.51
DRD4 P21917 2/20 0.50

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
SCHEMBL25607591 0.93 LMNA (0.63) DRD2LMNAHTR1AGAAADRA1D
SCHEMBL12040648 0.87 ALDH1A1 (0.57) DRD2LMNAHTR1AGAAADRA1D
SCHEMBL1725518 0.84 LMNA (0.54) DRD2LMNAHTR1AGAAADRA1D
SCHEMBL1725203 0.84 LMNA (0.56) DRD2LMNAHTR1AGAAADRA1D
SCHEMBL4865184 0.83 HTR6 (0.62) DRD2DRD3LMNAHTR1AGAA
SCHEMBL4250844 0.83 GAA (0.57) DRD2DRD3LMNAHTR1AGAA
SCHEMBL4252010 0.83 LMNA (0.47) DRD2DRD3LMNAHTR1AGAA
SCHEMBL9332781 0.80 ALDH1A1 (0.48) LMNAHTR1AGAAALDH1A1MAPT
SCHEMBL1383370 0.79 HTR1A (0.72) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL9055949 0.78 HTR1A (0.65) DRD2DRD3LMNAHTR1AGAA

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 7 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
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
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 638/4885LMNA 3467/4885
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives CCR10, H1-10, CXCL10 DRD2 768/4885DRD3 610/4885LMNA 3212/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 DRD2 563/4885DRD3 224/4885LMNA 4801/4885

“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.