SCHEMBL23329926

SCHEMBL23329926

CC(C)(CC(=O)N1c2nc3ccc(OC(F)F)cc3n2C12CCC2)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.32
ACACB O00763 1/20 0.32
MCHR1 Q99705 1/20 0.32
CYP2C9 P11712 1/20 0.31
CYP3A4 P08684 2/20 0.30
HSD11B1 P28845 2/20 0.30
NR1H4 Q96RI1 1/20 0.30
HPGDS O60760 1/20 0.30
PDE2A O00408 1/20 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
SCHEMBL23330031 0.91 BRD4 (0.33) BRD4ACACBMCHR1CYP2C9CYP3A4
SCHEMBL23329873 0.87 HPGDS (0.36) ACACBMCHR1HSD11B1HPGDSPDE2A
SCHEMBL23329545 0.86 PDE2A (0.32) PDE2A
SCHEMBL23329851 0.83 TRPV4 (0.34)
SCHEMBL23329869 0.78 RORC (0.32)
SCHEMBL23330035 0.77 PDE2A (0.33) ACACBPDE2A
SCHEMBL23329945 0.77 CACNA1H (0.31) PDE2A
SCHEMBL21354586 0.76 MCHR1 (0.37) BRD4MCHR1
SCHEMBL30315330 0.76 MCHR1 (0.37) BRD4MCHR1
SCHEMBL23330314 0.75

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20210130299-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KCNA7, KCNK17, KCNAB1 BRD4 357/4885ACACB 3888/4885MCHR1 3930/4885

“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.