SCHEMBL24437316

SCHEMBL24437316

O=C(Nc1c(F)cncc1F)c1cn(CC2CC2)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 11/20 0.53
▸ CNR2 P34972 8/20 0.48
▸ ALDH1A1 P00352 3/20 0.46
▸ P2RX7 Q99572 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NOD2 Q9HC29 1/20 0.41

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
SCHEMBL24437138 0.96 CNR1 (0.57) CNR1CNR2ALDH1A1P2RX7PDE4A
SCHEMBL24437303 0.90 CNR1 (0.56) CNR1CNR2ALDH1A1P2RX7NPC1
SCHEMBL24437274 0.86 CNR1 (0.51) CNR1CNR2ALDH1A1P2RX7
SCHEMBL24437378 0.86 CNR1 (0.60) CNR1CNR2ALDH1A1P2RX7NPC1
SCHEMBL24437306 0.83 CNR1 (0.52) CNR1CNR2ALDH1A1P2RX7MEN1
SCHEMBL24437144 0.83 CNR1 (0.54) CNR1CNR2ALDH1A1P2RX7
SCHEMBL24437193 0.79 CNR1 (0.55) CNR1CNR2ALDH1A1P2RX7
SCHEMBL24437163 0.78 CNR1 (0.51) CNR1CNR2MEN1KMT2ARAB9A
SCHEMBL24437154 0.77 DYRK1A (0.49) CNR1CNR2
SCHEMBL24437195 0.77 CNR1 (0.42) CNR1CNR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20220153735-A1 Orai Channel Inhibitors ORAI2, ORAI1, ORAI3 CNR1 940/4885CNR2 745/4885ALDH1A1 3163/4885

“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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