SCHEMBL5928924

SCHEMBL5928924

CCOc1ccc(-c2nc(-c3c(CC)cccc3CC)n(CC)c2CN2CCCCC2c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.37
▸ GAA P10253 1/20 0.37
▸ CD274 Q9NZQ7 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ CFB P00751 2/20 0.35
▸ CPT2 P23786 1/20 0.34
▸ CPT1A P50416 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ NPC1 O15118 1/20 0.34

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
SCHEMBL5929122 0.92 KMT2A (0.41) KMT2AGAAALDH1A1MAPTMEN1
SCHEMBL5929188 0.92 NPSR1 (0.40) KMT2AGAACD274ALDH1A1NPSR1
SCHEMBL5929363 0.91 KMT2A (0.39) KMT2AGAAALDH1A1MAPTMEN1
SCHEMBL5929141 0.91 KMT2A (0.38) KMT2AGAAALDH1A1MAPTHTT
SCHEMBL5929099 0.90 HCRTR1 (0.38) KMT2AGAAALDH1A1MAPTKDM4E
SCHEMBL5929192 0.89 KMT2A (0.39) KMT2AGAACD274ALDH1A1NPSR1
SCHEMBL5929038 0.89 DRD2 (0.40) KMT2AGAAALDH1A1MEN1HTT
SCHEMBL5928984 0.89 ALDH1A1 (0.41) KMT2AGAAALDH1A1MAPTMEN1
SCHEMBL5929002 0.89 CD274 (0.36) KMT2AGAACD274ALDH1A1NPSR1
SCHEMBL5929174 0.88 CFB (0.37) KMT2AGAAALDH1A1NPSR1MAPT

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 KMT2A 2955/4885GAA 4885/4885CD274 2140/4885

“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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