SCHEMBL30767968

SCHEMBL30767968

CC(C)(C)OC(=O)NC1Cc2c(CN)cccc2N(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.39
RORC P51449 8/20 0.37
DRD2 P14416 3/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
DRD3 P35462 1/20 0.36
CCRL2 O00421 1/20 0.36
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KCNA3 P22001 1/20 0.35
REN P00797 1/20 0.35
EPHX2 P34913 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
SCHEMBL30767940 0.88 KCNA3 (0.39) SCN9ARORCDRD2MTNR1AMTNR1B
SCHEMBL25331610 0.88 MTNR1A (0.40) DRD2MTNR1AMTNR1BKMT2A
SCHEMBL27057645 0.87 RORC (0.38) SCN9ARORCDRD2MTNR1AMTNR1B
SCHEMBL27057236 0.87 RORC (0.38) SCN9ARORCDRD2MTNR1AMTNR1B
SCHEMBL30767976 0.87 RORC (0.38) SCN9ARORCDRD2MTNR1AMTNR1B
SCHEMBL27057798 0.86 PARP1 (0.42) SCN9ARORC
SCHEMBL27057233 0.86 RORC (0.38) SCN9ARORCDRD2MTNR1AMTNR1B
SCHEMBL30576544 0.84 TEAD1 (0.48) MTNR1AMTNR1B
SCHEMBL25330483 0.84 TEAD1 (0.48) MTNR1AMTNR1B
SCHEMBL27057690 0.84 AR (0.42) SCN9ARORCDRD2MTNR1AMTNR1B

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 SCN9A 3864/4885RORC 426/4885DRD2 4703/4885

“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.