SCHEMBL26364530

SCHEMBL26364530

O=C([C@@H]1CCCN1C(=O)OCc1ccccc1)N(c1ccc(F)cc1)C1CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.52
NPSR1 Q6W5P4 1/20 0.51
TSHR P16473 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CTRB1 P17538 1/20 0.49
KMT2A Q03164 1/20 0.48
KLK7 P49862 1/20 0.48
KLK5 Q9Y337 1/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
GFER P55789 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 2/20 0.46

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
SCHEMBL26364694 0.92 PREP (0.51) PREPNPSR1TSHRL3MBTL1CTRB1
SCHEMBL4972525 0.86 PREP (0.52) PREPNPSR1TSHRL3MBTL1CTRB1
SCHEMBL26364677 0.80 PREP (0.59) PREPNPSR1TSHRL3MBTL1CTRB1
SCHEMBL489615 0.79 PREP (0.62) PREPNPSR1TSHRL3MBTL1CTRB1
SCHEMBL10756717 0.79 PREP (0.62) PREPNPSR1TSHRL3MBTL1CTRB1
SCHEMBL10756725 0.79 PREP (0.62) PREPNPSR1TSHRL3MBTL1CTRB1
SCHEMBL28472467 0.79 PREP (0.55) PREPNPSR1TSHRL3MBTL1CTRB1
SCHEMBL10937154 0.79 KMT2A (0.55) PREPNPSR1TSHRL3MBTL1CTRB1
SCHEMBL4387236 0.78 PREP (0.54) PREPNPSR1TSHRL3MBTL1CTRB1
SCHEMBL4389258 0.78 PREP (0.53) PREPNPSR1TSHRL3MBTL1CTRB1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303510-A1 CYCLIZED ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. 2023-09-28 US disclosed
US-20230303510-A1 CYCLIZED ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. 2023-09-28 US disclosed
EP-4188918-A1 CYCLIZED ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS Ideaya Biosciences, Inc. (US) 2023-06-07 EP disclosed
WO-2022026565-A9 CYCLIZED ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2022-12-08 WO disclosed
WO-2022026565-A1 CYCLIZED ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2022-02-03 WO 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-20230303510-A1 CYCLIZED ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS POLQ, POLB, POLH PREP 1602/4885NPSR1 4835/4885TSHR 4202/4885

“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.