SCHEMBL24304537

SCHEMBL24304537

CN1CCC(c2cc(F)c(N)cc2F)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.42
HTR1B P28222 2/20 0.42
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
APP P05067 1/20 0.39
HTR1F P30939 1/20 0.38
OPRL1 P41146 1/20 0.38
QDPR P09417 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
THPO P40225 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35

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
SCHEMBL13548512 0.87 HTR1D (0.40) HTR1DHTR1BTLR9TLR8TLR7
SCHEMBL4892167 0.85 APP (0.45) HTR1DHTR1BTLR9TLR8TLR7
SCHEMBL30977427 0.83 ALDH1A1 (0.34) OPRL1ALDH1A1SLC6A4
SCHEMBL23293943 0.81 PARP1 (0.40) HTR1DHTR1BTLR9TLR8TLR7
SCHEMBL17580565 0.79 TLR9 (0.40) HTR1DHTR1BTLR9TLR8TLR7
SCHEMBL9995255 0.78 HTR1D (0.55) HTR1DHTR1BAPPHTR1FOPRL1
SCHEMBL5005427 0.78 HTR1D (0.55) HTR1DHTR1BTLR9TLR8TLR7
SCHEMBL24304138 0.76 HTR1B (0.42) HTR1DHTR1BTLR9TLR8TLR7
SCHEMBL30788216 0.76 HTR1B (0.42) HTR1DHTR1BTLR9TLR8TLR7
SCHEMBL21999828 0.75 ALDH1A1 (0.34) OPRL1ALDH1A1

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-20220119370-A1 BRD4-JAK2 INHIBITORS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2022-04-21 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-20220119370-A1 BRD4-JAK2 INHIBITORS BRD4, BICRA, JAK2 HTR1D 3264/4885HTR1B 2327/4885TLR9 1076/4885

“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.