SCHEMBL5929061

SCHEMBL5929061

CCc1cccc(CC)c1-c1nc(-c2cccnc2)c(CN2CCCCC2c2ccc3c(c2)OCCO3)n1CC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 4/20 0.38
▸ GAA P10253 2/20 0.38
▸ KDM4E B2RXH2 6/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ HTT P42858 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ACHE P22303 1/20 0.35
▸ CTSD P07339 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ BACE2 Q9Y5Z0 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ MEN1 O00255 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
SCHEMBL5929123 0.88 POLB (0.40) POLBKMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL5929062 0.86 POLB (0.46) POLBKMT2AKDM4EALDH1A1HTT
SCHEMBL5929012 0.84 POLB (0.38) POLBKMT2AKDM4EALDH1A1
SCHEMBL5929306 0.81 C5AR1 (0.44) POLBKMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL5929070 0.79 KMT2A (0.41) POLBKMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL5929363 0.79 KMT2A (0.39) KMT2AGAAKDM4EALDH1A1MEN1
SCHEMBL5929097 0.77 POLB (0.39) POLBKMT2AKDM4E
SCHEMBL5929124 0.77 BCHE (0.37) POLBKMT2AKDM4EALDH1A1HTT
SCHEMBL5929042 0.77 CFB (0.38) KMT2AGAAKDM4EALDH1A1
SCHEMBL5929135 0.77 GAA (0.41) KMT2AGAAKDM4EALDH1A1SMN1; SMN2

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 POLB 4751/4885KMT2A 2955/4885GAA 4885/4885

“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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