SCHEMBL25329973

SCHEMBL25329973

O=C(O)NC1Cc2cnccc2N(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
GRM2 Q14416 6/20 0.40
FPR1 P21462 1/20 0.40
FPR2 P25090 1/20 0.40
TRPM8 Q7Z2W7 3/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
NOTUM Q6P988 1/20 0.36
KDR P35968 1/20 0.35
SRPK2 P78362 1/20 0.35
SRPK1 Q96SB4 1/20 0.35
SRPK3 Q9UPE1 1/20 0.35
SCN9A Q15858 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
PDE4B Q07343 1/20 0.35
ROCK2 O75116 2/20 0.35
CYP46A1 Q9Y6A2 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
SCHEMBL25330144 0.88 TEAD1 (0.46) MTNR1AMTNR1BGRM2FPR1FPR2
SCHEMBL30767979 0.87 EPHX2 (0.40) MTNR1AMTNR1BGRM2FPR1FPR2
SCHEMBL25330046 0.84 MTNR1A (0.59) MTNR1AMTNR1BFPR1FPR2NOTUM
SCHEMBL25331389 0.80 MTNR1A (0.42) MTNR1AMTNR1BHDAC1NOTUMSRPK1
SCHEMBL25331132 0.79 TEAD1 (0.48) MTNR1AMTNR1BGRM2FPR1FPR2
SCHEMBL25329168 0.79 GRM2 (0.36) MTNR1AMTNR1BGRM2FPR1FPR2
SCHEMBL25379854 0.77 FPR1 (0.41) GRM2FPR1FPR2TRPM8HDAC1
SCHEMBL29073321 0.77 GRM2 (0.37) GRM2FPR1FPR2TRPM8HDAC1
SCHEMBL25379936 0.76 MTNR1A (0.46) MTNR1AMTNR1BFPR1FPR2TRPM8
SCHEMBL25332512 0.75 NOTUM (0.36) MTNR1AMTNR1BGRM2FPR1FPR2

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-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
EP-4222143-A1 1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AS INHIBITORS OF THE YAP/TAZ-TEAD ACTIVATION FOR TREATING CANCER Katholieke Universiteit Leuven (BE) 2023-08-09 EP 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 MTNR1A 1460/4885MTNR1B 1468/4885GRM2 4221/4885

“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.