SCHEMBL26364697

SCHEMBL26364697

O=C([C@@H]1CCCN1)N(c1ccc(F)cc1)C1COC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.40
TACR1 P25103 2/20 0.35
SLC6A4 P31645 1/20 0.35
HSD11B1 P28845 1/20 0.34
MLNR O43193 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 1/20 0.32
ELANE P08246 1/20 0.32
KCNH2 Q12809 1/20 0.31
PFKFB2 O60825 1/20 0.31
PFKFB1 P16118 1/20 0.31
PFKFB3 Q16875 1/20 0.31
DPP4 P27487 1/20 0.31

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
SCHEMBL30555231 1.00 SCN4A (0.40) SCN4ATACR1SLC6A4HSD11B1MLNR
SCHEMBL26364532 0.89 SCN4A (0.44) SCN4ATACR1SLC6A4MLNRHRH3
SCHEMBL26364558 0.77 SCN4A (0.58) SCN4AMLNRPFKFB2PFKFB1PFKFB3
SCHEMBL26364702 0.77 SCN4A (0.58) SCN4AMLNRPFKFB2PFKFB1PFKFB3
SCHEMBL29517131 0.77 SCN4A (0.58) SCN4AMLNRPFKFB2PFKFB1PFKFB3
SCHEMBL26256073 0.74 SCN4A (0.42) SCN4ASLC6A4HTR2CHTR2B
SCHEMBL26364480 0.73 SCN4A (0.53) SCN4AMLNRPFKFB2PFKFB1PFKFB3
SCHEMBL2170010 0.71 HTR2C (0.39) SCN4AMLNRHTR2CHTR2BKCNH2
SCHEMBL26364459 0.69 MLNR (0.51) SCN4AMLNRPFKFB2PFKFB1PFKFB3
SCHEMBL26364663 0.69 MLNR (0.51) SCN4AMLNRPFKFB2PFKFB1PFKFB3

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 6 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
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 SCN4A 3727/4885TACR1 4792/4885SLC6A4 4851/4885

“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.