SCHEMBL5928931

SCHEMBL5928931

CCc1cccc(CC)c1-c1nc(-c2ccc(OC)c(F)c2)c(CN2CCCCC2c2ccccc2)n1CC

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ DRD2 P14416 16/20 0.40
▸ DRD3 P35462 16/20 0.40
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PDCD1 Q15116 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.36

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
SCHEMBL5929058 0.93 GAA (0.43) GAAKMT2ADRD2DRD3KDM4E
SCHEMBL5928934 0.91 LMNA (0.37) GAAKMT2ADRD2DRD3KDM4E
SCHEMBL5929291 0.89 GAA (0.42) GAAKMT2ADRD2DRD3KDM4E
SCHEMBL5929198 0.87 KDM4E (0.45) GAAKMT2ADRD2DRD3KDM4E
SCHEMBL5929122 0.87 KMT2A (0.41) GAAKMT2ADRD2DRD3KDM4E
SCHEMBL5928958 0.87 LMNA (0.43) GAAKMT2AKDM4EALDH1A1MAPT
SCHEMBL5928984 0.87 ALDH1A1 (0.41) GAAKMT2AKDM4EALDH1A1MAPT
SCHEMBL5929135 0.87 GAA (0.41) GAAKMT2ADRD2DRD3KDM4E
SCHEMBL5929174 0.86 CFB (0.37) GAAKMT2ADRD2DRD3KDM4E
SCHEMBL5929035 0.86 CFB (0.39) GAAKMT2ADRD2DRD3KDM4E

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 GAA 4885/4885KMT2A 2955/4885DRD2 2072/4885

“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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