SCHEMBL24437153

SCHEMBL24437153

O=C(Nc1c(F)cccc1F)c1cn(CC2CC2)c2c1CCCC2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FABP3 P05413 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PDE4A P27815 1/20 0.39
▸ DHODH Q02127 1/20 0.39
▸ FABP4 P15090 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ CNR1 P21554 9/20 0.38
▸ CNR2 P34972 6/20 0.38
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL24437121 0.80 CHRM1 (0.39) MAPTCNR1CNR2
SCHEMBL24437303 0.77 CNR1 (0.56) L3MBTL1HTTCNR1CNR2ALDH1A1
SCHEMBL24437378 0.76 CNR1 (0.60) L3MBTL1MAPTCNR1CNR2ALDH1A1
SCHEMBL24437306 0.71 CNR1 (0.52) MAPTHTTCNR1CNR2ALDH1A1
SCHEMBL24437193 0.70 CNR1 (0.55) HTTCNR1CNR2ALDH1A1
SCHEMBL24437316 0.68 CNR1 (0.53) PDE4ACNR1CNR2ALDH1A1MEN1
SCHEMBL24437138 0.67 CNR1 (0.57) PDE4ACNR1CNR2ALDH1A1
SCHEMBL24437167 0.66 NPC1 (0.42) DHODHMAPTALDH1A1KMT2A
SCHEMBL7454630 0.64 L3MBTL1 (0.43) L3MBTL1PDE4AMAPTHTTLMNA
SCHEMBL24437256 0.63 CNR1 (0.52) CNR1

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 FABP3 2924/4885L3MBTL1 4680/4885PDE4A 2283/4885

“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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