SCHEMBL9225440

SCHEMBL9225440

COc1ccccc1N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.86

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.81
DRD4 P21917 5/20 0.78
DRD2 P14416 4/20 0.74
DRD3 P35462 3/20 0.74
ADRA1D P25100 1/20 0.74
ADRA1A P35348 1/20 0.74
ADRA1B P35368 1/20 0.74
HTR7 P34969 3/20 0.71
ALDH1A1 P00352 1/20 0.71
HRH2 P25021 1/20 0.70
HRH1 P35367 1/20 0.70
KDM4E B2RXH2 1/20 0.68
LMNA P02545 1/20 0.68
HTT P42858 1/20 0.68
TDP1 Q9NUW8 1/20 0.68

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
SCHEMBL6031726 0.90 MAPK1 (0.80) MAPK1DRD4DRD2DRD3HTR7
SCHEMBL6031061 0.90 MAPK1 (0.80) MAPK1DRD4DRD2DRD3HTR7
SCHEMBL18177886 0.90 MAPK1 (1.00) MAPK1DRD4DRD2DRD3HTR7
SCHEMBL19561754 0.90 MAPK1 (0.80) MAPK1DRD4DRD2DRD3HTR7
SCHEMBL9720681 0.88 MAPK1 (0.78) MAPK1DRD4DRD2DRD3HTR7
Bromide SCHEMBL6575673 0.88 MAPK1 (0.78) MAPK1DRD4DRD2DRD3HTR7
SCHEMBL7790707 0.88 SLC6A2 (0.66) MAPK1DRD4DRD2DRD3ADRA1D
SCHEMBL7991732 0.88 DRD4 (1.00) MAPK1DRD4DRD2DRD3ADRA1D
SCHEMBL8744973 0.87 MAPK1 (0.70) MAPK1DRD4DRD2DRD3HTR7
SCHEMBL13030891 0.87 DRD4 (0.72) MAPK1DRD4DRD2DRD3HTR7

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
EP-2576520-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE Healthcare UK Limited (GB) 2013-04-10 EP disclosed
WO-2011150183-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE HEALTHCARE LIMITED (GB) 2011-12-01 WO disclosed
CN-102216282-A Aryl piperazines and their use as alpha 2C antagonists ORION CORP 2011-10-12 CN disclosed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 US disclosed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 US disclosed
CN-1246116-A Sulfonamide derivatives, process for their preparation and their use as medicaments SMITHKLINE BEECHAM PLC (GB) 2000-03-01 CN disclosed
EP-0650964-A1 1 2H-1-benzopyran-2-one-8-yl -piperazine derivatives DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1995-05-03 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-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS HTR6, GAP43, HTR5A MAPK1 918/4885DRD4 301/4885DRD2 242/4885

“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.