SCHEMBL25530569

SCHEMBL25530569

CC(C)(C)NCc1ccc(C(C)(C)C)cc1OC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.37
SLC6A4 P31645 2/20 0.37
KCNH2 Q12809 2/20 0.37
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PKM P14618 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
ADRA1D P25100 1/20 0.34
HTR1D P28221 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
SCHEMBL13875931 0.82 MEN1 (0.50) HTR2ASLC6A4KCNH2EPHX2HTT
SCHEMBL25574716 0.81 CA1 (0.40) EPHX2NR1H4MAPTMAPK1NPSR1
SCHEMBL25536705 0.78 CASR (0.35) HTR2ASLC6A4KCNH2EPHX2NR1H4
SCHEMBL13875905 0.78 HTT (0.51) SLC6A4KCNH2EPHX2HTTMEN1
SCHEMBL25530571 0.72 CYP1A2 (0.39) HTR2ASLC6A4KCNH2EPHX2NR1H4
SCHEMBL25562927 0.72 EPHX2 (0.48) EPHX2NR1H4NPSR1CYP1A2CYP2C19
SCHEMBL15803005 0.72 KDM4E (0.40) EPHX2NR1H4MAPTMAPK1MEN1
SCHEMBL25530871 0.72 CA1 (0.40) KCNH2EPHX2NR1H4MAPTMAPK1
SCHEMBL10064792 0.72 PDE2A (0.41) KCNH2EPHX2NR1H4TRPV1
SCHEMBL24065735 0.71 KIF11 (0.37) HTR2ASLC6A4KCNH2MAPTMAPK1

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-20230159491-A1 Antimicrobial Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 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-20230159491-A1 Antimicrobial Compounds and Methods MPO, NISCH, RPN2 HTR2A 4712/4885SLC6A4 3119/4885KCNH2 1953/4885

“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.