SCHEMBL13816784

SCHEMBL13816784

C=C1CC(c2cc(C(=O)CCOC)ccc2N2CCN(CC3CC3)CC2)CC(C)(C)C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
DRD2 P14416 8/20 0.37
DRD3 P35462 7/20 0.37
HTR1A P08908 6/20 0.37
DRD4 P21917 4/20 0.37
HTR2B P41595 4/20 0.37
HTR2A P28223 4/20 0.36
HTR2C P28335 3/20 0.36
DRD1 P21728 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
KDM2B Q8NHM5 3/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL13806201 0.90 HRH2 (0.40) HRH2HRH1DRD2DRD3HTR1A
Hydrochloric Acid SCHEMBL4253181 0.89 HRH2 (0.39) HRH2HRH1DRD2DRD3HTR1A
SCHEMBL13806147 0.78 HTR1A (0.41) HRH2HRH1DRD2HTR1ADRD4
SCHEMBL4257010 0.78 OPRD1 (0.43) DRD2KDM2BHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL4258032 0.77 HTR1A (0.40) HRH2HRH1DRD2HTR1ADRD4
Hydrochloric Acid SCHEMBL4257008 0.77 OPRD1 (0.43) DRD2KDM2BHPGDSMN1; SMN2
SCHEMBL4252096 0.76 HRH2 (0.44) HRH2HRH1DRD2DRD3HTR1A
Hydrochloric Acid SCHEMBL4257966 0.76 HRH2 (0.43) HRH2HRH1DRD2HTR1ADRD4
SCHEMBL4252945 0.74 MAPT (0.37) HRH2HRH1HTR1AGAAHPGD
SCHEMBL13816771 0.72 KDM4E (0.41) HPGDSMN1; SMN2

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 1 patent. 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

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 HRH2 65/4885HRH1 64/4885DRD2 746/4885

“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.