SCHEMBL25530560

SCHEMBL25530560

CC(C)(C)c1ccc(CN(CC2CC2)C(C)(C)C)c(OC(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.39
MCHR1 Q99705 4/20 0.39
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.34
SLC6A4 P31645 2/20 0.33
SLC6A2 P23975 1/20 0.33
NPY5R Q15761 3/20 0.33
HDAC8 Q9BY41 2/20 0.32
HTR2A P28223 3/20 0.31
KCNH2 Q12809 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
CETP P11597 1/20 0.30
LTC4S Q16873 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
SCHEMBL25530558 0.86 CYP1A2 (0.37) CYP1A2CYP2C19CYP2D6SLC6A4SLC6A2
SCHEMBL25530571 0.83 CYP1A2 (0.39) CYP1A2CYP2C19CYP2D6SLC6A4SLC6A2
SCHEMBL25530554 0.81 SLC6A4 (0.39) ADRA2ACYP1A2CYP2C19CYP2D6SLC6A4
SCHEMBL25530551 0.80 ADRA2A (0.42) ADRA2ACYP1A2CYP2C19CYP2D6SLC6A4
SCHEMBL25574716 0.72 CA1 (0.40) CYP1A2CYP2C19CYP2D6
SCHEMBL25530557 0.71 HDAC8 (0.40) ADRA2ACYP1A2CYP2C19CYP2D6SLC6A4
SCHEMBL25536709 0.71 CYP1A2 (0.37) CYP1A2CYP2C19CYP2D6SLC6A4SLC6A2
SCHEMBL25530562 0.68 HDAC8 (0.33) ADRA2ACYP2D6HDAC8HTR2AKCNH2
SCHEMBL25530577 0.68 CYP1A2 (0.41) CYP1A2CYP2C19CYP2D6CETP
SCHEMBL25530569 0.68 HTR2A (0.37) ADRA2ACYP1A2CYP2C19SLC6A4HTR2A

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-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
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 ADRA2A 4644/4885MCHR1 4720/4885CYP1A2 3539/4885

“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.