SCHEMBL24437306

SCHEMBL24437306

O=C(Nc1c(F)cccc1Cl)c1cn(CC2CC2)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 6/20 0.52
▸ CNR2 P34972 4/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CFD P00746 4/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ IL1B P01584 2/20 0.43
▸ P2RX7 Q99572 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MAPT P10636 1/20 0.43

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
SCHEMBL24437193 0.96 CNR1 (0.55) CNR1CNR2ALDH1A1CFDCYP1A2
SCHEMBL24437303 0.92 CNR1 (0.56) CNR1CNR2ALDH1A1CYP1A2CYP2C9
SCHEMBL24437378 0.88 CNR1 (0.60) CNR1CNR2ALDH1A1P2RX7MAPT
SCHEMBL24437316 0.83 CNR1 (0.53) CNR1CNR2ALDH1A1P2RX7MEN1
SCHEMBL29735513 0.82 NPC1 (0.59) ALDH1A1CYP1A2CYP2C9CYP2C19HTT
SCHEMBL19127904 0.82 NPC1 (0.59) ALDH1A1CYP1A2CYP2C9CYP2C19HTT
SCHEMBL19127229 0.81 HTT (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19HTT
SCHEMBL29735646 0.81 HTT (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19HTT
SCHEMBL24437138 0.79 CNR1 (0.57) CNR1CNR2ALDH1A1P2RX7
SCHEMBL24437274 0.76 CNR1 (0.51) CNR1CNR2ALDH1A1CFDHTT

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 745/4885ALDH1A1 3163/4885

“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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