SCHEMBL5929030

SCHEMBL5929030

CCc1cccc(CC)c1-c1nc(-c2cccnc2)c(CN2CCCCC2C2CCCCC2)n1CC1OCCO1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.36
▸ POLB P06746 1/20 0.36
▸ CRHBP P24387 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ P2RX7 Q99572 1/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ PABPC1 P11940 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SLC2A1 P11166 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ PDCD1 Q15116 1/20 0.31
▸ CD274 Q9NZQ7 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ PDE8B O95263 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ USP2 O75604 1/20 0.31

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
SCHEMBL5929210 0.87 KDM4E (0.35) KDM4EPOLBCRHBPCRHR2P2RX7
SCHEMBL5929118 0.85 KMT2A (0.36) KDM4EPOLBCRHBPCRHR2P2RX7
SCHEMBL5928890 0.83 KDM4E (0.32) KDM4EALDH1A1
SCHEMBL5929000 0.77 CYP3A4 (0.34) KDM4EPOLBKMT2AALDH1A1HPGD
SCHEMBL5929127 0.76 ALDH1A1 (0.35) KDM4EKMT2AALDH1A1HPGDPDCD1
SCHEMBL5929061 0.76 POLB (0.39) KDM4EPOLBCRHBPCRHR2KMT2A
SCHEMBL5928975 0.75 CNR1 (0.37) KDM4EPOLBKMT2AGAAPABPC1
SCHEMBL5929137 0.73 ADORA2B (0.38) KDM4EPOLBALDH1A1GAAHPGD
SCHEMBL5928969 0.73 HCRTR1 (0.37) KDM4EALDH1A1HPGDHTTSLC2A1
SCHEMBL5929067 0.69 GAA (0.32) KDM4ECRHBPCRHR2KMT2AALDH1A1

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-20060154917-A1 Substituted (heterocycloalkyl)methyl azole derivatives as c5a receptor modulators NEUROGEN CORPORATION (US) 2006-07-13 — — 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-20060154917-A1 Substituted (heterocycloalkyl)methyl azole derivatives as c5a receptor modulators C5AR1, C5AR2, C3AR1 KDM4E 1762/4885POLB 4751/4885CRHBP 1901/4885

“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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