SCHEMBL18779239

SCHEMBL18779239

CCC(C)(O)CC(=O)Nc1nc2cc(F)c(F)cc2n1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 3/20 0.36
CYSLTR2 Q9NS75 2/20 0.33
CYSLTR1 Q9Y271 2/20 0.33
MT-CO1 P00395 2/20 0.33
MT-CO2 P00403 2/20 0.33
AR P10275 1/20 0.32
EDNRA P25101 1/20 0.31
OPRM1 P35372 1/20 0.31
HTR2B P41595 1/20 0.31
KCNH2 Q12809 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TNF P01375 1/20 0.31
NOD2 Q9HC29 1/20 0.31
NOD1 Q9Y239 1/20 0.31
ALOX5AP P20292 3/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP19A1 P11511 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL18791986 0.89 ACSS2 (0.33) ACSS2MT-CO1MT-CO2AREDNRA
SCHEMBL20111256 0.83 ACSS2 (0.42) ACSS2CYSLTR2CYSLTR1MT-CO1MT-CO2
SCHEMBL20111257 0.83 CYP11B2 (0.35) ACSS2MT-CO1MT-CO2CYP19A1CYP11B1
SCHEMBL18779248 0.83 CYP11B2 (0.35) ACSS2MT-CO1MT-CO2CYP19A1CYP11B1
SCHEMBL18779265 0.83 ACSS2 (0.42) ACSS2CYSLTR2CYSLTR1MT-CO1MT-CO2
SCHEMBL18791841 0.78 LMNA (0.34) ACSS2KCNH2KDM4ETNFNOD2
SCHEMBL18791842 0.77 ACACB (0.34) ACSS2KCNH2KDM4ETNFNOD2
SCHEMBL18779245 0.76 PTGES (0.33) ACSS2KDM4ETNFNOD2NOD1
SCHEMBL19276193 0.76 LMNA (0.31) LMNASMN1; SMN2
SCHEMBL18779275 0.76 ACACB (0.34) KCNH2KDM4ETNFNOD2NOD1

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-11724990-B2 Kv7 channel activators compositions and methods of use BIOHAVEN THERAPEUTICS LTD. (VG) 2023-08-15 US disclosed
US-20170114022-A1 BENZOIMIDAZOL-1,2-YL AMIDES AS Kv7 CHANNEL ACTIVATORS CHANNEL BIOSCIENCES, LLC 2017-04-27 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 (2 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-11724990-B2 Kv7 channel activators compositions and methods of use KCNA7, KCNK17, KCNAB1 ACSS2 2521/4885CYSLTR2 2068/4885CYSLTR1 2527/4885
US-20170114022-A1 BENZOIMIDAZOL-1,2-YL AMIDES AS Kv7 CHANNEL ACTIVATORS KCNA7, KCNJ2, KCNK17 ACSS2 928/4885CYSLTR2 1191/4885CYSLTR1 1685/4885

“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.