SCHEMBL25530554

SCHEMBL25530554

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A3 Q01959 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 2/20 0.37
LTC4S Q16873 1/20 0.36
RORC P51449 2/20 0.35
HDAC8 Q9BY41 3/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
EPHX2 P34913 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
EP300 Q09472 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1D P25100 1/20 0.32

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
SCHEMBL25530551 0.86 ADRA2A (0.42) SLC6A4SLC6A2SLC6A3CYP1A2CYP2C19
SCHEMBL25530562 0.81 HDAC8 (0.33) CYP2D6HDAC8ADRA2AADRA2BADRA2C
SCHEMBL25530558 0.81 CYP1A2 (0.37) SLC6A4SLC6A2CYP1A2CYP2C19CYP2D6
SCHEMBL25530581 0.81 CYP1A2 (0.44) SLC6A4SLC6A2SLC6A3CYP1A2CYP2C19
SCHEMBL25530560 0.81 ADRA2A (0.39) SLC6A4SLC6A2CYP1A2CYP2C19CYP2D6
SCHEMBL25530557 0.76 HDAC8 (0.40) SLC6A4SLC6A2CYP1A2CYP2C19CYP2D6
SCHEMBL26166937 0.76 HDAC8 (0.31) HDAC8
SCHEMBL25530592 0.74 CYP2C19 (0.50) SLC6A4SLC6A2SLC6A3CYP1A2CYP2C19
SCHEMBL20665206 0.74 CYP2C19 (0.68) SLC6A4SLC6A2SLC6A3CYP1A2CYP2C19
SCHEMBL21654088 0.71 CYP1A2 (0.46) SLC6A4SLC6A2SLC6A3CYP1A2CYP2C19

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 SLC6A4 3119/4885SLC6A2 3080/4885SLC6A3 2550/4885

“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.