SCHEMBL5929012

SCHEMBL5929012

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TERT O14746 2/20 0.34
▸ CD274 Q9NZQ7 3/20 0.34
▸ PDCD1 Q15116 2/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ RORC P51449 1/20 0.33

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
SCHEMBL5929124 0.92 BCHE (0.37) POLBLMNABCHEKDM4EALDH1A1
SCHEMBL5929189 0.89 KMT2A (0.36) LMNABCHEKDM4EALDH1A1KMT2A
SCHEMBL5928927 0.86 KMT2A (0.41) POLBLMNAKDM4EALDH1A1RAB9A
SCHEMBL5929061 0.84 POLB (0.39) POLBKDM4EALDH1A1KMT2A
SCHEMBL5929123 0.84 POLB (0.40) POLBLMNAKDM4EALDH1A1RAB9A
SCHEMBL5929062 0.83 POLB (0.46) POLBLMNAKDM4EALDH1A1MAPT
SCHEMBL5929300 0.83 KDM4E (0.41) POLBLMNAKDM4EALDH1A1MAPT
SCHEMBL5929097 0.82 POLB (0.39) POLBLMNABCHEKDM4EKMT2A
SCHEMBL5928908 0.81 POLB (0.38) POLBLMNABCHEKDM4EALDH1A1
SCHEMBL5929306 0.76 C5AR1 (0.44) POLBLMNAKDM4EALDH1A1RAB9A

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 4751/4885LMNA 4776/4885BCHE 3023/4885

“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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