SCHEMBL2349196

SCHEMBL2349196

CC1CN(Cc2ccccc2)CCC1NC(=O)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.54
DRD2 P14416 5/20 0.54
DRD3 P35462 2/20 0.54
MCHR1 Q99705 2/20 0.49
UBE2M P61081 2/20 0.49
DCUN1D1 Q96GG9 2/20 0.49
SIGMAR1 Q99720 5/20 0.47
ACHE P22303 1/20 0.46
SCN4A P35499 2/20 0.46

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
SCHEMBL12280116 1.00 DRD4 (0.54) DRD4DRD2DRD3MCHR1UBE2M
SCHEMBL27890304 0.87 DRD4 (0.50) DRD4DRD2DRD3MCHR1UBE2M
SCHEMBL14831782 0.83 UBE2M (0.53) DRD4DRD2DRD3MCHR1UBE2M
SCHEMBL4390012 0.83 DRD4 (0.65) DRD4DRD2MCHR1SIGMAR1ACHE
SCHEMBL6865672 0.83 DRD4 (0.65) DRD4DRD2MCHR1SIGMAR1ACHE
SCHEMBL4369301 0.82 DRD2 (0.56) DRD4DRD2DRD3MCHR1SIGMAR1
SCHEMBL4369305 0.82 DRD2 (0.56) DRD4DRD2DRD3MCHR1SIGMAR1
SCHEMBL4372414 0.82 DRD2 (0.56) DRD4DRD2DRD3MCHR1SIGMAR1
SCHEMBL4372426 0.82 DRD2 (0.56) DRD4DRD2DRD3MCHR1SIGMAR1
SCHEMBL4369297 0.82 DRD2 (0.56) DRD4DRD2DRD3MCHR1SIGMAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230467-A1 4,6-DIAMINONICOTINAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-09-22 US disclosed
EP-2361902-A1 4,6-DIAMINONICOTINAMIDE COMPOUND Astellas Pharma Inc. (JP) 2011-08-31 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-20110230467-A1 4,6-DIAMINONICOTINAMIDE COMPOUND JAK3, JAK2, JAK1 DRD4 819/4885DRD2 1167/4885DRD3 842/4885

“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.