SCHEMBL24437303

SCHEMBL24437303

O=C(Nc1c(F)cccc1F)c1cn(CC2CC2)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 7/20 0.56
▸ ALDH1A1 P00352 5/20 0.51
▸ CNR2 P34972 5/20 0.51
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ NOD2 Q9HC29 1/20 0.46
▸ P2RX7 Q99572 1/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ CYP3A4 P08684 1/20 0.45

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
SCHEMBL24437378 0.95 CNR1 (0.60) CNR1ALDH1A1CNR2NPC1RAB9A
SCHEMBL24437306 0.92 CNR1 (0.52) CNR1ALDH1A1CNR2P2RX7CYP2C9
SCHEMBL24437316 0.90 CNR1 (0.53) CNR1ALDH1A1CNR2NPC1RAB9A
SCHEMBL24437193 0.88 CNR1 (0.55) CNR1ALDH1A1CNR2P2RX7CYP2C9
SCHEMBL24437138 0.86 CNR1 (0.57) CNR1ALDH1A1CNR2P2RX7
SCHEMBL24437274 0.81 CNR1 (0.51) CNR1ALDH1A1CNR2P2RX7L3MBTL1
SCHEMBL29735646 0.78 HTT (0.54) ALDH1A1NPC1RAB9ANOD2CYP2C9
SCHEMBL29735643 0.78 HTT (0.57) ALDH1A1CNR2NPC1RAB9ANOD2
SCHEMBL19127229 0.78 HTT (0.54) ALDH1A1NPC1RAB9ANOD2CYP2C9
SCHEMBL19127879 0.78 HTT (0.57) ALDH1A1CNR2NPC1RAB9ANOD2

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 940/4885ALDH1A1 3163/4885CNR2 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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