SCHEMBL18791990

SCHEMBL18791990

C[C@](O)(CC(=O)Nc1nc2c(Cl)cc(C3CC3)cc2n1C1CCC1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 12/20 0.39
EGFR P00533 3/20 0.35
ACSS2 Q9NR19 1/20 0.35
ACACB O00763 1/20 0.34
MAT2A P31153 1/20 0.33
MAP3K7 O43318 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
RPS6KA2 Q15349 1/20 0.33

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
SCHEMBL20110988 1.00 TRPV4 (0.39) TRPV4EGFRACSS2ACACBMAT2A
SCHEMBL18791989 1.00 TRPV4 (0.39) TRPV4EGFRACSS2ACACBMAT2A
SCHEMBL18791999 0.90 EGFR (0.37) TRPV4EGFRACSS2MAP3K7IRAK4
SCHEMBL18792006 0.90 EGFR (0.37) TRPV4EGFRACSS2MAP3K7IRAK4
SCHEMBL20110984 0.90 EGFR (0.37) TRPV4EGFRACSS2MAP3K7IRAK4
SCHEMBL18779274 0.88 ACACB (0.39) TRPV4ACACB
SCHEMBL18791860 0.83 TRPV4 (0.35) TRPV4EGFRACACB
SCHEMBL18779277 0.82 TRPV4 (0.35) TRPV4EGFRACACB
SCHEMBL18791657 0.81 EGFR (0.38) TRPV4EGFRACSS2MAP3K7IRAK4
SCHEMBL18791655 0.81 EGFR (0.38) TRPV4EGFRACSS2MAP3K7IRAK4

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 4 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-20200062714-A1 BENZOIMIDAZOL-1,2-YL AMIDES AS Kv7 CHANNEL ACTIVATORS CHANNEL BIOSCIENCES, LLC 2020-02-27 US disclosed
WO-2018081825-A1 BENZOIMIDAZOL-1, 2-YL AMIDES AS KV7 CHANNEL ACTIVATORS KNOPP BIOSCIENCES LLC (US) 2018-05-03 WO 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 (3 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 TRPV4 97/4885EGFR 4338/4885ACSS2 2521/4885
US-20170114022-A1 BENZOIMIDAZOL-1,2-YL AMIDES AS Kv7 CHANNEL ACTIVATORS KCNA7, KCNJ2, KCNK17 TRPV4 104/4885EGFR 4329/4885ACSS2 928/4885
US-20200062714-A1 BENZOIMIDAZOL-1,2-YL AMIDES AS Kv7 CHANNEL ACTIVATORS KCNA7, KCNJ2, KCNK17 TRPV4 104/4885EGFR 4329/4885ACSS2 928/4885

“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.