SCHEMBL18779253

SCHEMBL18779253

CC1(n2c(NC(=O)C[C@](C)(O)c3ccccc3)nc3cc(F)c(Cl)cc32)CCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 3/20 0.34
CYP3A4 P08684 1/20 0.32
KCNH2 Q12809 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
ANO1 Q5XXA6 1/20 0.32
KDM4E B2RXH2 2/20 0.32
NOD2 Q9HC29 2/20 0.32
TNF P01375 1/20 0.32
NOD1 Q9Y239 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ACACB O00763 1/20 0.31
FABP4 P15090 1/20 0.31
FABP5 Q01469 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MCHR1 Q99705 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
S1PR1 P21453 1/20 0.30
PTGES O14684 2/20 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
SCHEMBL20110990 1.00 ACSS2 (0.34) ACSS2CYP3A4KCNH2NR1H4ANO1
SCHEMBL18791848 0.88 ACACB (0.36) CYP3A4KCNH2NR1H4ANO1ACACB
SCHEMBL18792002 0.87 AR (0.33) ACSS2ALK
SCHEMBL20111114 0.87 AR (0.33) ACSS2ALK
SCHEMBL18792010 0.87 AR (0.33) ACSS2ALK
SCHEMBL18779244 0.87 KCNQ2 (0.35) CYP3A4KCNH2NR1H4ANO1LMNA
SCHEMBL18791844 0.86 CYP3A4 (0.33) CYP3A4KCNH2NR1H4ANO1ACACB
SCHEMBL18791666 0.85 CSNK1D (0.39) ACSS2KDM4ELMNAALDH1A1MCHR1
SCHEMBL18791934 0.85 CSNK1D (0.39) ACSS2KDM4ELMNAALDH1A1MCHR1
SCHEMBL20111376 0.85 CSNK1D (0.39) ACSS2KDM4ELMNAALDH1A1MCHR1

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-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
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 2521/4885CYP3A4 2565/4885KCNH2 23/4885
US-20170114022-A1 BENZOIMIDAZOL-1,2-YL AMIDES AS Kv7 CHANNEL ACTIVATORS KCNA7, KCNJ2, KCNK17 ACSS2 928/4885CYP3A4 1656/4885KCNH2 28/4885

“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.