SCHEMBL5929223

SCHEMBL5929223

CCc1cccc(CC)c1-c1nc(Br)c(CN2CCC(=O)CC2c2ccc(OC)c(OC)c2)n1CC1OCCO1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ SMN1; SMN2 Q16637 4/20 0.32
▸ MAPK1 P28482 3/20 0.32
▸ USP2 O75604 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ GPR55 Q9Y2T6 1/20 0.32
▸ MAOB P27338 3/20 0.32
▸ MAOA P21397 2/20 0.32
▸ UTS2R Q9UKP6 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ C5AR1 P21730 1/20 0.31
▸ PDE4D Q08499 1/20 0.31

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 0.76 BCHE (0.37) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL5929189 0.76 KMT2A (0.36) KMT2AALDH1A1LMNAKDM4E
SCHEMBL5929168 0.72 KMT2A (0.39) SMN1; SMN2MEN1GAAKMT2AUTS2R
SCHEMBL5928890 0.71 KDM4E (0.32) ALDH1A1KDM4E
SCHEMBL5929300 0.69 KDM4E (0.41) MEN1GAAKMT2AALDH1A1LMNA
SCHEMBL5929135 0.68 GAA (0.41) SMN1; SMN2GAAKMT2AMAOBUTS2R
SCHEMBL5929012 0.68 POLB (0.38) KMT2AALDH1A1LMNAKDM4E
SCHEMBL5928938 0.68 KMT2A (0.39) SMN1; SMN2MAPK1MEN1GAAKMT2A
SCHEMBL5929004 0.68 KMT2A (0.39) SMN1; SMN2MAPK1MEN1GAAKMT2A
SCHEMBL5929031 0.68 UTS2R (0.35) SMN1; SMN2KMT2AMAOBMAOAUTS2R

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 CCNT1 2837/4885CDK9 1391/4885SMN1; SMN2 4708/4885

“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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