SCHEMBL29969129

SCHEMBL29969129

COC(=O)C1CC(F)(c2cccc(OC)n2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.40
OPRL1 P41146 3/20 0.40
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
SLC6A9 P48067 2/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CCR2 P41597 1/20 0.34
KCNH2 Q12809 1/20 0.34
NNMT P40261 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
ALOX5 P09917 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 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
SCHEMBL21513711 1.00 OPRM1 (0.40) OPRM1OPRL1JAK2JAK1TYK2
SCHEMBL29969932 0.85 OPRM1 (0.41) OPRM1OPRL1JAK2JAK1TYK2
SCHEMBL21513680 0.85 OPRM1 (0.41) OPRM1OPRL1JAK2JAK1TYK2
SCHEMBL21513708 0.78 SLC6A2 (0.41) OPRM1OPRL1MAPT
SCHEMBL29969746 0.78 SLC6A2 (0.41) OPRM1OPRL1MAPT
SCHEMBL29968809 0.73 P2RX7 (0.43) NNMTMAPT
SCHEMBL21513709 0.73 P2RX7 (0.43) NNMTMAPT
SCHEMBL21513713 0.72 ITGA4 (0.37) OPRM1NR4A2DHODHSORT1
SCHEMBL29968891 0.72 ITGA4 (0.37) OPRM1NR4A2DHODHSORT1
SCHEMBL21513696 0.70 OPRM1 (0.47) OPRM1OPRL1DDB1CRBNKDM1A

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 OPRM1 4580/4885OPRL1 4800/4885JAK2 925/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 OPRM1 4580/4885OPRL1 4800/4885JAK2 925/4885

“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.