SCHEMBL21375474

SCHEMBL21375474

C=C(CC)CC(=O)Nc1nc2ccc(C(C)(C)O)cc2n1C1(C)CCC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.33
LMNA P02545 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
ALK Q9UM73 5/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
SAE1 Q9UBE0 1/20 0.31
UBA2 Q9UBT2 1/20 0.31
NTRK1 P04629 1/20 0.31
INSR P06213 1/20 0.31
LCK P06239 1/20 0.31
LTK P29376 1/20 0.31
AXL P30530 1/20 0.31
FLT3 P36888 1/20 0.31
IRAK1 P51617 1/20 0.31
MAP4K2 Q12851 1/20 0.31
MERTK Q12866 1/20 0.31
KDM4E B2RXH2 2/20 0.31
NOD2 Q9HC29 2/20 0.31
HTT P42858 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
SCHEMBL18779216 0.87 CSNK1D (0.39) MCHR1LMNAALKL3MBTL1MAP3K5
SCHEMBL18779222 0.85 MCHR1 (0.35) MCHR1ALKL3MBTL1NTRK1INSR
SCHEMBL18791921 0.84 MCHR1 (0.36) MCHR1ALKNTRK1INSRLCK
SCHEMBL18779202 0.83 ALK (0.34) MCHR1ALKNTRK1INSRLCK
SCHEMBL18791919 0.82 MCHR1 (0.37) MCHR1SMN1; SMN2ALKNTRK1INSR
SCHEMBL21354661 0.82 GPR55 (0.34) MCHR1USP2MAP3K5
SCHEMBL30315395 0.82 GPR55 (0.34) MCHR1USP2MAP3K5
SCHEMBL21354649 0.81 RPS6KA3 (0.33) MCHR1ALKNTRK1INSRLCK
SCHEMBL21354651 0.81 RPS6KA3 (0.33) MCHR1ALKNTRK1INSRLCK
SCHEMBL30315405 0.81 RPS6KA3 (0.33) MCHR1ALKNTRK1INSRLCK

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-20230000831-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE CHANNEL BIOSCIENCES, LLC 2023-01-05 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

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-20190284142-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KCNA7, KCNK17, KCNAB1 MCHR1 3930/4885LMNA 1881/4885SMN1; SMN2 286/4885
US-11724990-B2 Kv7 channel activators compositions and methods of use KCNA7, KCNK17, KCNAB1 MCHR1 3930/4885LMNA 1881/4885SMN1; SMN2 286/4885
US-20230000831-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KCNA7, KCNK17, KCNAB1 MCHR1 3930/4885LMNA 1881/4885SMN1; SMN2 286/4885
US-10851067-B2 Kv7 channel activators compositions and methods of use KCNA7, KCNK17, KCNAB1 MCHR1 3930/4885LMNA 1881/4885SMN1; SMN2 286/4885

“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.