SCHEMBL18792009

SCHEMBL18792009

CC1(n2c(NC(=O)CC(O)(CF)CF)nc3cc(F)c(C#N)cc32)CCC1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.32
ALK Q9UM73 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
CACNA1H O95180 2/20 0.31
PARG Q86W56 2/20 0.31
GPR119 Q8TDV5 1/20 0.31

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
SCHEMBL30315388 0.90 KCNQ2 (0.33) ARALKCYP11B1CYP11B2CACNA1H
SCHEMBL21354697 0.90 KCNQ2 (0.33) ARALKCYP11B1CYP11B2CACNA1H
SCHEMBL20111114 0.85 AR (0.33) ARALK
SCHEMBL18792002 0.85 AR (0.33) ARALK
SCHEMBL18792010 0.85 AR (0.33) ARALK
SCHEMBL30315476 0.85 AR (0.35) ARALK
SCHEMBL21354596 0.85 AR (0.35) ARALK
SCHEMBL21390802 0.80 CYP11B1 (0.30) CYP11B1CYP11B2
SCHEMBL18791701 0.80 CYP11B2 (0.42) ALKCYP11B1CYP11B2CACNA1H
SCHEMBL18791937 0.80 MCHR1 (0.40)

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 7 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-20230000831-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE CHANNEL BIOSCIENCES, LLC 2023-01-05 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-10851067-B2 Kv7 channel activators compositions and methods of use KNOPP BIOSCIENCES LLC (US) 2020-12-01 US disclosed
US-20190284142-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE CHANNEL BIOSCIENCES, LLC 2019-09-19 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 (6 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-20190284142-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KCNA7, KCNK17, KCNAB1 AR 3812/4885ALK 2337/4885CYP11B1 3429/4885
US-11724990-B2 Kv7 channel activators compositions and methods of use KCNA7, KCNK17, KCNAB1 AR 3812/4885ALK 2337/4885CYP11B1 3429/4885
US-20230000831-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KCNA7, KCNK17, KCNAB1 AR 3812/4885ALK 2337/4885CYP11B1 3429/4885
US-20170114022-A1 BENZOIMIDAZOL-1,2-YL AMIDES AS Kv7 CHANNEL ACTIVATORS KCNA7, KCNJ2, KCNK17 AR 3960/4885ALK 3025/4885CYP11B1 2769/4885
US-10851067-B2 Kv7 channel activators compositions and methods of use KCNA7, KCNK17, KCNAB1 AR 3812/4885ALK 2337/4885CYP11B1 3429/4885
US-20210130299-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KCNA7, KCNK17, KCNAB1 AR 3812/4885ALK 2337/4885CYP11B1 3429/4885

“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.