SCHEMBL24437193

SCHEMBL24437193

O=C(Nc1c(F)cccc1Cl)c1cn(CC2CCC2)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 7/20 0.55
▸ CNR2 P34972 4/20 0.48
▸ ALDH1A1 P00352 4/20 0.45
▸ P2RX7 Q99572 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ CFD P00746 1/20 0.42

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
SCHEMBL24437306 0.96 CNR1 (0.52) CNR1CNR2ALDH1A1P2RX7CYP1A2
SCHEMBL24437378 0.93 CNR1 (0.60) CNR1CNR2ALDH1A1P2RX7SMN1; SMN2
SCHEMBL24437303 0.88 CNR1 (0.56) CNR1CNR2ALDH1A1P2RX7CYP1A2
SCHEMBL24437138 0.84 CNR1 (0.57) CNR1CNR2ALDH1A1P2RX7
SCHEMBL29735513 0.80 NPC1 (0.59) ALDH1A1P2RX7SMN1; SMN2CYP1A2CYP2C9
SCHEMBL19127904 0.80 NPC1 (0.59) ALDH1A1P2RX7SMN1; SMN2CYP1A2CYP2C9
SCHEMBL24437316 0.79 CNR1 (0.53) CNR1CNR2ALDH1A1P2RX7
SCHEMBL19127229 0.79 HTT (0.54) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL29735646 0.79 HTT (0.54) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL24437144 0.77 CNR1 (0.54) CNR1CNR2ALDH1A1P2RX7

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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