SCHEMBL6000236

SCHEMBL6000236

CCC(N)(c1ccncc1)c1cccc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.40
CYP17A1 P05093 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
KIF11 P52732 3/20 0.38
CYP19A1 P11511 2/20 0.37
USP2 O75604 1/20 0.36
RAB9A P51151 1/20 0.36
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
TP53 P04637 1/20 0.34
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34

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
SCHEMBL5999990 0.86 CYP19A1 (0.40) KCNN4KIF11CYP19A1
SCHEMBL5999958 0.85 RAB9A (0.39) CYP17A1CYP11B1KIF11USP2RAB9A
SCHEMBL6000278 0.82 MAPK14 (0.40) CYP3A4KIF11RAB9AKMT2A
SCHEMBL5999951 0.81 USP2 (0.55) CYP17A1KIF11CYP19A1USP2RAB9A
SCHEMBL5999709 0.81 KIF11 (0.49) KCNN4KIF11
SCHEMBL5999440 0.81 CA1 (0.38) CYP11B1CYP11B2KIF11RAB9A
SCHEMBL6000276 0.81 CYP19A1 (0.43) KIF11CYP19A1KMT2A
SCHEMBL5998796 0.80 KCNN4 (0.42) KCNN4CYP17A1CYP3A4CYP11B1CYP11B2
SCHEMBL6000325 0.79 CYP17A1 (0.39) KCNN4CYP17A1CYP3A4CYP11B1CYP11B2
SCHEMBL26278660 0.75 NR3C1 (0.43) KCNN4CYP17A1CYP3A4CYP11B1CYP11B2

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 KCNN4 348/4885CYP17A1 4384/4885CYP3A4 2214/4885

“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.