SCHEMBL29601308

SCHEMBL29601308

O=C(O)c1cn(CC2COC2)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 12/20 0.59
CNR2 P34972 10/20 0.59
PLK1 P53350 4/20 0.50
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL24437322 1.00 CNR1 (0.59) CNR1CNR2PLK1ALDH1A1HPGD
SCHEMBL7291968 0.87 CNR1 (0.62) CNR1CNR2PLK1NPSR1LMNA
SCHEMBL24437217 0.84 CNR1 (0.66) CNR1CNR2PLK1NPSR1
SCHEMBL3105128 0.83 CNR1 (0.72) CNR1CNR2PLK1NPSR1
SCHEMBL21176865 0.78 CNR1 (0.66) CNR1CNR2LMNA
SCHEMBL29576532 0.78 CNR1 (0.66) CNR1CNR2LMNA
SCHEMBL9344560 0.78 CNR1 (0.62) CNR1CNR2PLK1ALDH1A1
SCHEMBL30421188 0.78 LMNA (0.64) CNR1CNR2LMNA
SCHEMBL9028840 0.78 LMNA (0.64) CNR1CNR2LMNA
SCHEMBL7291403 0.75 CNR1 (0.60) CNR1CNR2ALDH1A1NPSR1

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-12459938-B2 ORAI channel inhibitors BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2025-11-04 US disclosed
US-20220153735-A1 Orai Channel Inhibitors BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2022-05-19 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-12459938-B2 ORAI channel inhibitors ORAI1, CACNA1E, ORAI3 CNR1 86/4885CNR2 209/4885PLK1 3964/4885
US-20220153735-A1 Orai Channel Inhibitors ORAI2, ORAI1, ORAI3 CNR1 940/4885CNR2 745/4885PLK1 2081/4885

“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.