SCHEMBL24437274

SCHEMBL24437274

O=C(Nc1ccncc1F)c1cn(CC2CC2)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 7/20 0.51
▸ CNR2 P34972 6/20 0.46
▸ SLC22A12 Q96S37 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CFD P00746 2/20 0.42
▸ P2RX7 Q99572 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ L3MBTL1 Q9Y468 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
SCHEMBL24437144 0.96 CNR1 (0.54) CNR1CNR2SLC22A12ALDH1A1P2RX7
SCHEMBL24437195 0.92 CNR1 (0.42) CNR1CNR2LMNAHTTSMN1; SMN2
SCHEMBL24437154 0.92 DYRK1A (0.49) CNR1CNR2LMNAHTTSMN1; SMN2
SCHEMBL24437315 0.91 CNR1 (0.45) CNR1CNR2SLC22A12CFD
SCHEMBL24437163 0.88 CNR1 (0.51) CNR1CNR2SLC22A12HTTSMN1; SMN2
SCHEMBL24437198 0.87 CFD (0.42) CNR1CNR2SLC22A12CFDLMNA
SCHEMBL24437316 0.86 CNR1 (0.53) CNR1CNR2ALDH1A1P2RX7
SCHEMBL24437323 0.86 PDE6D (0.42) CNR1CNR2L3MBTL1
SCHEMBL24437232 0.86 HTR3A (0.46) CNR1CNR2LMNAHTTSMN1; SMN2
SCHEMBL24437134 0.84 CNR1 (0.54) CNR1CNR2P2RX7

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 745/4885SLC22A12 283/4885

“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.

Send feedback