SCHEMBL25823605

SCHEMBL25823605

COC(=O)C1CC2(CCN(c3ccc(-c4ccc(OCc5ccccc5)nc4OCc4ccccc4)cc3F)CC2)C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.38
GRM5 P41594 2/20 0.37
NPY2R P49146 1/20 0.36
PDE5A O76074 2/20 0.35
PRMT5 O14744 2/20 0.34
CNR1 P21554 1/20 0.34
ENPP2 Q13822 2/20 0.33
NOX1 Q9Y5S8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC6A9 P48067 1/20 0.33

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
SCHEMBL31018330 1.00 FFAR4 (0.38) FFAR4GRM5NPY2RPDE5APRMT5
SCHEMBL25819407 0.92 FFAR4 (0.42) FFAR4GRM5NPY2RPDE5APRMT5
SCHEMBL31382276 0.87 CYP3A4 (0.42) FFAR4GRM5PRMT5CNR1ENPP2
SCHEMBL25256285 0.86 FFAR4 (0.39) FFAR4GRM5NPY2RPRMT5
SCHEMBL25301501 0.85 FFAR4 (0.35) FFAR4GRM5NPY2RPDE5APRMT5
SCHEMBL25938824 0.84 GRM5 (0.40) FFAR4GRM5NPY2RALDH1A1POLB
SCHEMBL30830739 0.83 PARP1 (0.42) PRMT5
SCHEMBL29013177 0.83 FFAR4 (0.47) FFAR4GRM5NPY2RALDH1A1SMN1; SMN2
SCHEMBL31018307 0.82 CYP11B2 (0.42) PRMT5
SCHEMBL25035220 0.82 CYP11B2 (0.42) PRMT5

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 4754/4885GRM5 3397/4885NPY2R 4852/4885
US-11912710-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers PLK1, BUB1B, BUB1 FFAR4 4733/4885GRM5 1390/4885NPY2R 4818/4885

“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.