SCHEMBL5999958

SCHEMBL5999958

CCC(N)(c1ccncc1)c1cc(F)cc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
USP2 O75604 1/20 0.39
CYP17A1 P05093 3/20 0.33
CYP21A2 P08686 2/20 0.33
CYP11B1 P15538 2/20 0.33
KIF11 P52732 2/20 0.31
NTRK1 P04629 1/20 0.31
CTSD P07339 1/20 0.30
BACE1 P56817 1/20 0.30
BACE2 Q9Y5Z0 1/20 0.30

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
SCHEMBL5999951 0.85 USP2 (0.55) RAB9AUSP2CYP17A1KIF11
SCHEMBL6000236 0.85 KCNN4 (0.40) RAB9AUSP2CYP17A1CYP11B1KIF11
SCHEMBL5999956 0.82 CYP19A1 (0.37) CYP11B1KIF11
SCHEMBL6000325 0.79 CYP17A1 (0.39) RAB9AUSP2CYP17A1CYP11B1KIF11
SCHEMBL5999962 0.79 CYP19A1 (0.39) KIF11
SCHEMBL5999709 0.77 KIF11 (0.49) KIF11
SCHEMBL5999948 0.76 TSHR (0.38) RAB9AUSP2KIF11
SCHEMBL6000436 0.74 LMNA (0.37) RAB9AUSP2KIF11
SCHEMBL5999689 0.74 CYP19A1 (0.55)
SCHEMBL6000278 0.72 MAPK14 (0.40) RAB9AKIF11

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-20060058357-A1 Delta2-1,2,3-triazoline anticonvulsants and their active metabolite analogues, the aminoalkylpyridines, are excitatory amino acid antagonists and antiischemic agents, useful in the treatment of cerebral ischemia resulting from stroke K AND K BIOSCIENCE, INC. (US) 2006-03-16 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-20060058357-A1 Delta2-1,2,3-triazoline anticonvulsants and their active metabolite analogues, the aminoalkylpyridines, are excitatory amino acid antagonists and antiischemic agents, useful in the treatment of cerebral ischemia resulting from stroke SIGMAR1, GRM1, GRIN2C RAB9A 3582/4885USP2 3011/4885CYP17A1 4384/4885

“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.