SCHEMBL24437144

SCHEMBL24437144

O=C(Nc1ccncc1F)c1cn(CC2CCC2)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 9/20 0.54
▸ CNR2 P34972 5/20 0.45
▸ P2RX7 Q99572 1/20 0.45
▸ OPRM1 P35372 1/20 0.43
▸ OPRL1 P41146 1/20 0.43
▸ SLC22A12 Q96S37 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42

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
SCHEMBL24437274 0.96 CNR1 (0.51) CNR1CNR2P2RX7SLC22A12ALDH1A1
SCHEMBL24437315 0.89 CNR1 (0.45) CNR1CNR2SLC22A12
SCHEMBL24437134 0.88 CNR1 (0.54) CNR1CNR2P2RX7OPRM1OPRL1
SCHEMBL24437154 0.88 DYRK1A (0.49) CNR1CNR2
SCHEMBL24437195 0.88 CNR1 (0.42) CNR1CNR2
SCHEMBL24437138 0.87 CNR1 (0.57) CNR1CNR2P2RX7ALDH1A1
SCHEMBL24437198 0.85 CFD (0.42) CNR1CNR2SLC22A12
SCHEMBL24437323 0.84 PDE6D (0.42) CNR1CNR2
SCHEMBL24437163 0.84 CNR1 (0.51) CNR1CNR2SLC22A12
SCHEMBL24437316 0.83 CNR1 (0.53) CNR1CNR2P2RX7ALDH1A1

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 745/4885P2RX7 216/4885

“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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