SCHEMBL29969842

SCHEMBL29969842

COC(=O)C1CC(c2cccc(Cl)c2)C1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.42
SLC9A1 P19634 1/20 0.42
HDAC2 Q92769 1/20 0.41
SLC6A3 Q01959 4/20 0.40
TP53 P04637 1/20 0.40
MDM2 Q00987 1/20 0.40
SLC6A2 P23975 1/20 0.39
GRM5 P41594 1/20 0.39
LDHA P00338 1/20 0.39
LDHB P07195 1/20 0.39
HSD11B1 P28845 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL21512715 1.00 GRIN2B (0.42) GRIN2BSLC9A1HDAC2SLC6A3TP53
SCHEMBL30967779 0.82 SLC6A4 (0.51) SLC6A3
SCHEMBL21512714 0.82 OPRK1 (0.43)
SCHEMBL29969542 0.82 OPRK1 (0.43)
SCHEMBL18640463 0.82 SLC6A4 (0.51) SLC6A3
SCHEMBL18640459 0.82 POLB (0.40) SLC6A3SLC6A2
SCHEMBL11660635 0.81 SLC6A3 (0.48) SLC6A3SLC6A2
SCHEMBL2448643 0.80 AKR1C3 (0.53) GRIN2BSLC6A3
SCHEMBL30715031 0.79 SLC9A1 (0.58) SLC9A1SLC6A3TP53MDM2SLC6A2
SCHEMBL29302528 0.79 SLC9A1 (0.58) SLC9A1SLC6A3TP53MDM2SLC6A2

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-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy XRAD THERAPEUTICS, INC. (US) 2025-01-07 US disclosed
US-20220315606-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD HOLDING CAYMAN LIMITED (KY) 2022-10-06 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-20220315606-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY ATM, CHEK2, CHEK1 GRIN2B 4152/4885SLC9A1 4402/4885HDAC2 548/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 GRIN2B 4152/4885SLC9A1 4402/4885HDAC2 548/4885

“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.