SCHEMBL5929188

SCHEMBL5929188

CCOc1cccc(-c2nc(-c3c(CC)cccc3CC)n(CC)c2CN2CCCCC2c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.40
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ CD274 Q9NZQ7 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ CPT2 P23786 2/20 0.36
▸ CPT1A P50416 2/20 0.36
▸ CPT1B Q92523 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ FABP4 P15090 1/20 0.36
▸ FABP5 Q01469 1/20 0.36
▸ PTGIR P43119 2/20 0.36
▸ CFB P00751 2/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ BACE1 P56817 1/20 0.35

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
SCHEMBL5929198 0.93 KDM4E (0.45) KDM4EALDH1A1POLBMAPTRAB9A
SCHEMBL5928924 0.92 KMT2A (0.37) NPSR1KDM4EALDH1A1POLBMAPT
SCHEMBL5929363 0.90 KMT2A (0.39) KDM4EALDH1A1MAPTRAB9AKMT2A
SCHEMBL5929042 0.89 CFB (0.38) KDM4EALDH1A1MAPTRAB9AKMT2A
SCHEMBL5929034 0.88 CFB (0.37) NPSR1KDM4EALDH1A1MAPTCD274
SCHEMBL5929174 0.88 CFB (0.37) NPSR1KDM4EALDH1A1MAPTRAB9A
SCHEMBL5928958 0.88 LMNA (0.43) NPSR1KDM4EALDH1A1POLBMAPT
SCHEMBL5928966 0.88 ALDH1A1 (0.42) KDM4EALDH1A1MAPTRAB9AKMT2A
SCHEMBL5929035 0.87 CFB (0.39) KDM4EALDH1A1MAPTRAB9AKMT2A
SCHEMBL5929192 0.86 KMT2A (0.39) NPSR1KDM4EALDH1A1MAPTCD274

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 NPSR1 167/4885KDM4E 1762/4885ALDH1A1 3884/4885

“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.

Send feedback