SCHEMBL30767959

SCHEMBL30767959

CC(C)(C)OC(=O)NC1Cc2cc(Br)ccc2N(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCRL2 O00421 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
EPHX2 P34913 1/20 0.38
USP30 Q70CQ3 1/20 0.36
RORC P51449 6/20 0.36
APOB P04114 3/20 0.35
MTTP P55157 3/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
NR1H2 P55055 2/20 0.35
AAK1 Q2M2I8 1/20 0.35
NR1H3 Q13133 1/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 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
SCHEMBL27057237 1.00 CCRL2 (0.39) CCRL2MTNR1AMTNR1BEPHX2USP30
SCHEMBL25331389 0.87 MTNR1A (0.42) MTNR1AMTNR1BHDAC1MAPT
SCHEMBL27057488 0.86 MTNR1A (0.54) MTNR1AMTNR1BEPHX2RORCAPOB
SCHEMBL30767979 0.82 EPHX2 (0.40) CCRL2MTNR1AMTNR1BEPHX2RORC
SCHEMBL27057838 0.82 RORC (0.39) CCRL2RORC
SCHEMBL30767952 0.82 RORC (0.39) CCRL2RORC
SCHEMBL27057233 0.80 RORC (0.38) CCRL2MTNR1AMTNR1BEPHX2RORC
SCHEMBL30767958 0.80 SLC6A2 (0.39)
SCHEMBL27057629 0.80 SLC6A2 (0.39)
SCHEMBL25815594 0.79 SCN9A (0.49) MTNR1AMTNR1BEPHX2RORCKMT2A

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-20240025856-A1 1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AS INHIBITORS OF THE YAP/TAZ-TEAD ACTIVATION FOR TREATING CANCER CISTIM LEUVEN VZW (BE) 2024-01-25 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-20240025856-A1 1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AS INHIBITORS OF THE YAP/TAZ-TEAD ACTIVATION FOR TREATING CANCER YAP1, TEAD2, TEAD1 CCRL2 2935/4885MTNR1A 1460/4885MTNR1B 1468/4885

“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.