SCHEMBL5928988

SCHEMBL5928988

CCc1cccc(CC)c1-c1nc(-c2ccccc2)c(CN2CCCCC2c2ccc3c(c2)OCCO3)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.42
▸ TERT O14746 4/20 0.41
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.37
▸ PDCD1 Q15116 3/20 0.36
▸ CD274 Q9NZQ7 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GPR35 Q9HC97 1/20 0.36
▸ BRAF P15056 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RECQL P46063 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
SCHEMBL5929101 0.96 TERT (0.42) POLBTERTBCHEACHEMEN1
SCHEMBL5929039 0.84 MAPT (0.40) TERTBCHEALDH1A1LMNAKMT2A
SCHEMBL5929049 0.79 POLB (0.41) POLBTERTACHEMEN1ALDH1A1
SCHEMBL5929070 0.78 KMT2A (0.41) POLBTERTACHEMEN1ALDH1A1
SCHEMBL5929123 0.77 POLB (0.40) POLBTERTACHEMEN1ALDH1A1
SCHEMBL5929306 0.75 C5AR1 (0.44) POLBTERTACHEMEN1ALDH1A1
SCHEMBL5929104 0.75 CPT2 (0.38) POLBTERTBCHEMEN1ALDH1A1
SCHEMBL5929061 0.74 POLB (0.39) POLBACHEMEN1ALDH1A1KMT2A
SCHEMBL5929012 0.74 POLB (0.38) POLBTERTBCHEPDCD1CD274
SCHEMBL5929062 0.74 POLB (0.46) POLBPDCD1CD274MEN1ALDH1A1

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 POLB 4751/4885TERT 4563/4885BCHE 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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