SCHEMBL22968018

SCHEMBL22968018

CC(=O)N1CCC(COc2ccc(Cl)nc2C)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SSTR4 P31391 1/20 0.48
▸ CYP4F2 P78329 1/20 0.44
▸ CYP4A11 Q02928 1/20 0.44
▸ IRAK4 Q9NWZ3 1/20 0.44
▸ CNR2 P34972 2/20 0.43
▸ F10 P00742 2/20 0.41
▸ CHEK2 O96017 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ IKBKE Q14164 1/20 0.41
▸ TBK1 Q9UHD2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ MGLL Q99685 4/20 0.40

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
SCHEMBL22968106 0.78 CYP4A11 (0.68) CYP4F2CYP4A11
SCHEMBL22968017 0.78 CYP4F2 (0.44) CYP4F2CYP4A11IRAK4F10CHEK2
SCHEMBL19477443 0.75 CYP4F2 (0.48) CYP4F2CYP4A11IRAK4CNR2F10
SCHEMBL19833705 0.74 GPR119 (0.48) CNR2CHEK2
SCHEMBL23434873 0.74 IRAK4 (0.45) CYP4F2CYP4A11IRAK4F10IKBKE
SCHEMBL18711944 0.73 SPR (0.51) CYP4F2CYP4A11IRAK4CHEK2
SCHEMBL791389 0.73 CYP2C9 (0.53) CYP4F2CYP4A11F10MEN1KMT2A
SCHEMBL23434715 0.72 PTGER1 (0.45) CYP4F2CYP4A11IRAK4F10IKBKE
SCHEMBL14771896 0.72 IKBKE (0.49) IKBKETBK1
SCHEMBL17878836 0.71 SSTR4 (0.49) SSTR4

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-20210040062-A1 AZOLE-SUBSTITUTED PYRIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2021-02-11 — — 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-20210040062-A1 AZOLE-SUBSTITUTED PYRIDINE COMPOUND CYP2F1, CYP21A2, CYP11B1 SSTR4 1178/4885CYP4F2 8/4885CYP4A11 13/4885

“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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