SCHEMBL5050394

SCHEMBL5050394

CCCCN1CCN(c2cc(C(=O)NCCOC)ccc2C2CCC(C(C)(C)C)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 16/20 0.47
HTR1A P08908 5/20 0.47
HTR2A P28223 3/20 0.47
DRD4 P21917 14/20 0.46
DRD3 P35462 7/20 0.46
ADRA2A P08913 4/20 0.45
DRD1 P21728 2/20 0.44
ADRA1D P25100 2/20 0.44
HTR2C P28335 2/20 0.44
ADRA1A P35348 2/20 0.44
ADRA1B P35368 2/20 0.44
HTR2B P41595 2/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44

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 SCHEMBL4256567 0.99 DRD2 (0.47) DRD2HTR1AHTR2ADRD4DRD3
SCHEMBL4408657 0.87 HTR7 (0.43) DRD2HTR1AHTR2ADRD4DRD3
Hydrochloric Acid SCHEMBL4408654 0.86 HTR7 (0.42) DRD2HTR1AHTR2ADRD4DRD3
SCHEMBL4257635 0.84 DRD2 (0.42) DRD2HTR1AHTR2ADRD4DRD3
SCHEMBL13806175 0.83 DRD2 (0.42) DRD2HTR1AHTR2ADRD4DRD3
Hydrochloric Acid SCHEMBL4855101 0.83 MEN1 (0.42) DRD2HTR1AHTR2ADRD4DRD3
Hydrochloric Acid SCHEMBL4258530 0.82 DRD2 (0.41) DRD2HTR1AHTR2ADRD4DRD3
SCHEMBL13806178 0.82 DRD2 (0.41) DRD2HTR1AHTR2ADRD4DRD3
Hydrochloric Acid SCHEMBL4253712 0.81 DRD2 (0.40) DRD2HTR1AHTR2ADRD4DRD3
SCHEMBL4856469 0.80 DRD2 (0.41) DRD2HTR1AHTR2ADRD4DRD3

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 3 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

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 746/4885HTR1A 721/4885HTR2A 1559/4885

“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.