SCHEMBL2797370

SCHEMBL2797370

C[C@H]1CO[C@H](Cc2ccc(F)cc2)CN1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.44
MAPT P10636 1/20 0.44
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
RORC P51449 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL2794910 1.00 DRD4 (0.44) DRD4MAPTPDK1PDK2PDK3
SCHEMBL2794913 1.00 DRD4 (0.44) DRD4MAPTPDK1PDK2PDK3
SCHEMBL2797082 1.00 DRD4 (0.44) DRD4MAPTPDK1PDK2PDK3
SCHEMBL2796350 0.83 DRD4 (0.51) DRD4
SCHEMBL13229820 0.83 DRD4 (0.51) DRD4
SCHEMBL2796348 0.83 DRD4 (0.51) DRD4
SCHEMBL13059797 0.81 MAPT (0.50) MAPTPDK1PDK2PDK3PDK4
SCHEMBL3536137 0.81 MAPT (0.50) MAPTPDK1PDK2PDK3PDK4
SCHEMBL3535329 0.81 MAPT (0.50) MAPTPDK1PDK2PDK3PDK4
SCHEMBL13059798 0.81 MAPT (0.50) MAPTPDK1PDK2PDK3PDK4

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-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 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-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR5, CCR3 DRD4 633/4885MAPT 4424/4885PDK1 3410/4885

“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.