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SCHEMBL18792006

SCHEMBL18792006

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 9/20 0.37
▸ ACSS2 Q9NR19 3/20 0.35
▸ MAP3K7 O43318 2/20 0.34
▸ IRAK4 Q9NWZ3 2/20 0.34
▸ TRPV4 Q9HBA0 3/20 0.34
▸ RPS6KA2 Q15349 1/20 0.33
▸ ALK Q9UM73 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ OPRL1 P41146 1/20 0.33
▸ OGFRL1 Q5TC84 1/20 0.33
▸ IRAK1 P51617 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
SCHEMBL20110984 1.00 EGFR (0.37) EGFRACSS2MAP3K7IRAK4TRPV4
SCHEMBL18791999 1.00 EGFR (0.37) EGFRACSS2MAP3K7IRAK4TRPV4
SCHEMBL18791655 0.90 EGFR (0.38) EGFRACSS2MAP3K7IRAK4TRPV4
SCHEMBL20110991 0.90 EGFR (0.38) EGFRACSS2MAP3K7IRAK4TRPV4
SCHEMBL18791657 0.90 EGFR (0.38) EGFRACSS2MAP3K7IRAK4TRPV4
SCHEMBL18791989 0.90 TRPV4 (0.39) EGFRACSS2MAP3K7IRAK4TRPV4
SCHEMBL18791990 0.90 TRPV4 (0.39) EGFRACSS2MAP3K7IRAK4TRPV4
SCHEMBL20110988 0.90 TRPV4 (0.39) EGFRACSS2MAP3K7IRAK4TRPV4
SCHEMBL18779278 0.88 ALK (0.34) EGFRMAP3K7IRAK4TRPV4ALK
SCHEMBL18791852 0.86 ALK (0.37) EGFRACSS2MAP3K7IRAK4TRPV4

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-20210130299-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-05-06 — — US disclosed
US-20200062714-A1 BENZOIMIDAZOL-1,2-YL AMIDES AS Kv7 CHANNEL ACTIVATORS CHANNEL BIOSCIENCES, LLC 2020-02-27 — — 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 (4 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 EGFR 4338/4885ACSS2 2521/4885MAP3K7 306/4885
US-20170114022-A1 BENZOIMIDAZOL-1,2-YL AMIDES AS Kv7 CHANNEL ACTIVATORS KCNA7, KCNJ2, KCNK17 EGFR 4329/4885ACSS2 928/4885MAP3K7 166/4885
US-20210130299-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KCNA7, KCNK17, KCNAB1 EGFR 4338/4885ACSS2 2521/4885MAP3K7 306/4885
US-20200062714-A1 BENZOIMIDAZOL-1,2-YL AMIDES AS Kv7 CHANNEL ACTIVATORS KCNA7, KCNJ2, KCNK17 EGFR 4329/4885ACSS2 928/4885MAP3K7 166/4885

“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.