SCHEMBL25819461

SCHEMBL25819461

COC(=O)C1CCN(c2ccc(-c3ccc(C)nc3OCc3ccccc3)cc2F)CC1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 7/20 0.42
CYP8B1 Q9UNU6 1/20 0.39
KDM4E B2RXH2 1/20 0.37
SMPD3 Q9NY59 3/20 0.36
RORC P51449 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
IDH1 O75874 2/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 1/20 0.36
NPY2R P49146 1/20 0.35
CHRM4 P08173 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
SCHEMBL30135909 0.93 FFAR4 (0.40) FFAR4CYP8B1RORCCHRM2CHRM5
SCHEMBL25034787 0.93 FFAR4 (0.40) FFAR4CYP8B1RORCCHRM2CHRM5
SCHEMBL25819459 0.85 FFAR4 (0.41) FFAR4SMPD3IDH1CNR1CNR2
SCHEMBL25935234 0.82 LTA4H (0.41) FFAR4CNR1CNR2
SCHEMBL25819203 0.82 FFAR4 (0.61) FFAR4
SCHEMBL25935029 0.82 FFAR4 (0.46) FFAR4KDM4E
SCHEMBL25935316 0.82 FFAR4 (0.38) FFAR4KDM4ECNR1CNR2
SCHEMBL25819407 0.82 FFAR4 (0.42) FFAR4KDM4ECNR1CNR2NPY2R
SCHEMBL25935092 0.82 FFAR4 (0.48) FFAR4KDM4ENPY2RCHRM4
SCHEMBL25935028 0.81 FFAR4 (0.49) FFAR4

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-11912710-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers UPPTHERA, INC. (KR) 2024-02-27 US disclosed
US-20230219966-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-07-13 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 (2 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-20230219966-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND PLK1, BUB1B, BUB1 FFAR4 4754/4885CYP8B1 4114/4885KDM4E 1918/4885
US-11912710-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers PLK1, BUB1B, BUB1 FFAR4 4733/4885CYP8B1 3810/4885KDM4E 1387/4885

“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.