SCHEMBL5929067

SCHEMBL5929067

CCc1cccc(CC)c1-c1nc(-c2cccnc2)c(CN2CCCCC2C2=COC=C(C3=CC=CCC3)O2)n1CC

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ CRHBP P24387 1/20 0.30
▸ CRHR2 Q13324 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
SCHEMBL5929017 0.87 — —
SCHEMBL5929061 0.75 POLB (0.39) GAAKMT2AKDM4EALDH1A1HTT
SCHEMBL5929363 0.71 KMT2A (0.39) GAAKMT2AKDM4EALDH1A1
SCHEMBL5929030 0.69 KDM4E (0.36) GAAKMT2AKDM4EALDH1A1HTT
SCHEMBL5929210 0.69 KDM4E (0.35) GAAKMT2AKDM4EALDH1A1CRHBP
SCHEMBL5929118 0.68 KMT2A (0.36) GAAKMT2AKDM4EALDH1A1CRHBP
SCHEMBL5929042 0.68 CFB (0.38) GAAKMT2AKDM4EALDH1A1
SCHEMBL5929141 0.68 KMT2A (0.38) GAAKMT2AKDM4EALDH1A1HTT
SCHEMBL5929034 0.67 CFB (0.37) GAAKMT2AKDM4EALDH1A1HTT
SCHEMBL5928958 0.67 LMNA (0.43) GAAKMT2AKDM4EALDH1A1

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 2 patents. 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
WO-2005007087-A2 SUBSTITUTED (HETEROCYCLOALKYL)METHYL AZOLE DERIVATIVES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2005-01-27 — — WO 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 2955/4885KDM4E 1762/4885

“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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