SCHEMBL24437198

SCHEMBL24437198

CC1CC1Cn1cc(C(=O)Nc2ccncc2F)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 2/20 0.42
▸ SLC22A12 Q96S37 1/20 0.42
▸ CNR2 P34972 5/20 0.42
▸ CNR1 P21554 5/20 0.41
▸ HTR3A P46098 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ FLT1 P17948 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ EP300 Q09472 1/20 0.39
▸ CREBBP Q92793 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TSHR P16473 1/20 0.39

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 0.87 CNR1 (0.51) CFDSLC22A12CNR2CNR1LMNA
SCHEMBL24437144 0.85 CNR1 (0.54) SLC22A12CNR2CNR1
SCHEMBL24437315 0.85 CNR1 (0.45) CFDSLC22A12CNR2CNR1HTR3A
SCHEMBL24437380 0.82 SLC22A12 (0.43) CFDSLC22A12CNR2CNR1LMNA
SCHEMBL24437154 0.79 DYRK1A (0.49) CNR2CNR1LMNAHTTSMN1; SMN2
SCHEMBL24437195 0.79 CNR1 (0.42) CNR2CNR1LMNAHTTSMN1; SMN2
SCHEMBL24437163 0.77 CNR1 (0.51) SLC22A12CNR2CNR1HTTSMN1; SMN2
SCHEMBL24437134 0.76 CNR1 (0.54) CNR2CNR1
SCHEMBL19128080 0.75 HDAC1 (0.49) SLC22A12LMNAHTTSMN1; SMN2FLT1
SCHEMBL29735592 0.75 HDAC1 (0.49) SLC22A12LMNAHTTSMN1; SMN2FLT1

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 CFD 3394/4885SLC22A12 283/4885CNR2 745/4885

“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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