SCHEMBL5928908

SCHEMBL5928908

CCc1cccc(CC)c1-c1nc(Cl)c(CN2CCCCC2c2ccc3c(c2)OCCO3)n1CCOC

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.38
▸ CD274 Q9NZQ7 7/20 0.37
▸ PDCD1 Q15116 6/20 0.37
▸ LMNA P02545 2/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL5929097 0.91 POLB (0.39) POLBCD274PDCD1LMNAKDM4E
SCHEMBL5928938 0.87 KMT2A (0.39) KDM4EALDH1A1MAPTRAB9AKMT2A
SCHEMBL5929125 0.86 GAA (0.40) KDM4EALDH1A1MAPTRAB9AKMT2A
SCHEMBL5928948 0.86 OPRK1 (0.40) POLBLMNAKDM4EALDH1A1MAPT
SCHEMBL5929012 0.81 POLB (0.38) POLBCD274PDCD1LMNAKDM4E
SCHEMBL5929248 0.80 KDM4E (0.33) CD274PDCD1LMNAKDM4EALDH1A1
SCHEMBL5929116 0.80 KDM4E (0.39) POLBLMNAKDM4EALDH1A1MAPT
SCHEMBL5929230 0.79 POLB (0.39) POLBCD274PDCD1LMNAKDM4E
SCHEMBL5929004 0.79 KMT2A (0.39) KDM4EALDH1A1MAPTRAB9AKMT2A
SCHEMBL5929124 0.79 BCHE (0.37) POLBCD274PDCD1LMNAKDM4E

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 POLB 4751/4885CD274 2140/4885PDCD1 3849/4885

“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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