SCHEMBL5928890

SCHEMBL5928890

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

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CNR1 P21554 1/20 0.31
▸ SLC6A9 P48067 1/20 0.30

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
SCHEMBL5928992 0.85 CYP3A4 (0.36) KDM4EALDH1A1
SCHEMBL5929059 0.83 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL5929030 0.83 KDM4E (0.36) KDM4EALDH1A1
SCHEMBL5929189 0.82 KMT2A (0.36) KDM4EALDH1A1
SCHEMBL5929124 0.82 BCHE (0.37) KDM4EALDH1A1
SCHEMBL5928975 0.80 CNR1 (0.37) KDM4ECNR1
SCHEMBL5929060 0.74 CYP3A4 (0.36) KDM4EALDH1A1
SCHEMBL5929331 0.73 ALDH1A1 (0.33) KDM4EALDH1A1CNR1SLC6A9
SCHEMBL5929248 0.72 KDM4E (0.33) KDM4EALDH1A1CNR1
SCHEMBL5929012 0.72 POLB (0.38) KDM4EALDH1A1

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 1762/4885ALDH1A1 3884/4885CNR1 27/4885

“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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