SCHEMBL18791850

SCHEMBL18791850

CC(C)(n1c(NC(=O)C[C@@](C)(O)c2ccccc2)nc2ccc(C#N)cc21)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 7/20 0.45
PDK1 Q15118 2/20 0.36
PDK2 Q15119 2/20 0.36
PDK3 Q15120 2/20 0.36
PDK4 Q16654 2/20 0.36
RORC P51449 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CETP P11597 2/20 0.34
OPRK1 P41145 2/20 0.34
SLC22A12 Q96S37 1/20 0.34
CCR9 P51686 1/20 0.34
ALB P02768 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34

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
SCHEMBL18791849 1.00 ACSS2 (0.45) ACSS2PDK1PDK2PDK3PDK4
SCHEMBL20110978 1.00 ACSS2 (0.45) ACSS2PDK1PDK2PDK3PDK4
SCHEMBL17582736 0.92 ACSS2 (0.48) ACSS2RORCKDM4EALDH1A1GLA
SCHEMBL17582741 0.92 ACSS2 (0.48) ACSS2RORCKDM4EALDH1A1GLA
SCHEMBL17582856 0.92 ACSS2 (0.48) ACSS2RORCKDM4EALDH1A1GLA
SCHEMBL21354760 0.88 CSNK1D (0.39) ACSS2PDK1PDK2PDK3PDK4
SCHEMBL29701141 0.88 CSNK1D (0.39) ACSS2PDK1PDK2PDK3PDK4
SCHEMBL21354642 0.87 CETP (0.37) ACSS2PDK1PDK2PDK3PDK4
SCHEMBL30315376 0.87 CETP (0.37) ACSS2PDK1PDK2PDK3PDK4
SCHEMBL30315309 0.85 ACSS2 (0.49) ACSS2RORCOPRK1OPRM1OPRD1

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 2 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-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 2521/4885PDK1 282/4885PDK2 496/4885
US-20170114022-A1 BENZOIMIDAZOL-1,2-YL AMIDES AS Kv7 CHANNEL ACTIVATORS KCNA7, KCNJ2, KCNK17 ACSS2 928/4885PDK1 589/4885PDK2 390/4885

“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.