SCHEMBL2344586

SCHEMBL2344586

CC(C)(C)N(C(=O)O)C1CC=C(c2ccc(C#N)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
SLC6A3 Q01959 3/20 0.39
GPR119 Q8TDV5 1/20 0.38
HSD11B1 P28845 3/20 0.35
KIF11 P52732 1/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
NSD2 O96028 1/20 0.33
DRD3 P35462 1/20 0.33
MCHR1 Q99705 1/20 0.33
SLC22A12 Q96S37 3/20 0.33
PRSS1 P07477 1/20 0.33
CTSG P08311 1/20 0.33
CTRB1 P17538 1/20 0.33
CMA1 P23946 1/20 0.33
PAX8 Q06710 1/20 0.33
PDK2 Q15119 1/20 0.32

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
SCHEMBL16868798 0.73 MCHR1 (0.41) CYP11B2DRD3MCHR1
SCHEMBL16868763 0.73 MCHR1 (0.41) CYP11B2DRD3MCHR1
SCHEMBL16868778 0.73 MCHR1 (0.41) CYP11B2DRD3MCHR1
SCHEMBL16868783 0.73 MCHR1 (0.41) CYP11B2DRD3MCHR1
SCHEMBL1434883 0.72 CES2 (0.33)
SCHEMBL23549825 0.71 HDAC4 (0.35)
SCHEMBL23549834 0.70
SCHEMBL11348560 0.70 HRH3 (0.41) SLC6A2SLC6A4SLC6A3HSD11B1KIF11
SCHEMBL1791020 0.69 PNMT (0.40) DRD3MCHR1
SCHEMBL12321516 0.69 DRD2 (0.48) GPR119

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 SLC6A2 2479/4885SLC6A4 2108/4885SLC6A3 257/4885

“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.