SCHEMBL29969876

SCHEMBL29969876

CC1CCN(c2ncc(Br)cc2NS(C)(=O)=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 17/20 0.47
▸ TRPV1 Q8NER1 2/20 0.40
▸ ALDH1A1 P00352 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
SCHEMBL26132379 1.00 OPRK1 (0.47) OPRK1TRPV1ALDH1A1
SCHEMBL3797013 0.87 PIK3CA (0.40) OPRK1
SCHEMBL26590381 0.86 OPRK1 (0.47) OPRK1
SCHEMBL29968786 0.84 OPRK1 (0.60) OPRK1
SCHEMBL21513765 0.84 CYP1A2 (0.42) OPRK1ALDH1A1
SCHEMBL3799659 0.83 PIK3CA (0.50) OPRK1
SCHEMBL29970104 0.83 OPRK1 (0.47) OPRK1
SCHEMBL26130602 0.83 OPRK1 (0.47) OPRK1
SCHEMBL29969608 0.82 OPRK1 (0.43) OPRK1TRPV1
SCHEMBL26131525 0.82 OPRK1 (0.43) OPRK1TRPV1

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 3 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
EP-3784671-B1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS INC (US) 2023-10-11 — — EP 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 OPRK1 3281/4885TRPV1 4865/4885ALDH1A1 3354/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 OPRK1 3281/4885TRPV1 4865/4885ALDH1A1 3354/4885

“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.

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