SCHEMBL5929078

SCHEMBL5929078

CCc1cccc(CC)c1-c1nc(-c2ccc(C(C)C)cc2)c(CN2CCCCC2c2ccccc2)n1CC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 6/20 0.37
▸ KCNK9 Q9NPC2 6/20 0.37
▸ KMT2A Q03164 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ CFB P00751 2/20 0.35
▸ NR1H2 P55055 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ KDM4E B2RXH2 5/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HTT P42858 2/20 0.33
▸ CRHR1 P34998 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CASR P41180 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL5929363 0.92 KMT2A (0.39) KMT2AGAACFBKDM4EALDH1A1
SCHEMBL5929038 0.91 DRD2 (0.40) KCNK3KCNK9KMT2AGAACFB
SCHEMBL5929141 0.91 KMT2A (0.38) KCNK3KCNK9KMT2AGAACFB
SCHEMBL5928984 0.90 ALDH1A1 (0.41) KCNK3KCNK9KMT2AGAACFB
SCHEMBL5929174 0.89 CFB (0.37) KMT2AGAACFBKDM4EALDH1A1
SCHEMBL5929090 0.88 KDM4E (0.38) KMT2AGAACFBNR1H2NR1H3
SCHEMBL5929296 0.88 GAA (0.35) KMT2AGAACFBKDM4EALDH1A1
SCHEMBL5929122 0.88 KMT2A (0.41) KMT2AGAAKDM4EALDH1A1MEN1
SCHEMBL5928924 0.87 KMT2A (0.37) KMT2AGAACFBKDM4EALDH1A1
SCHEMBL5929035 0.87 CFB (0.39) KMT2AGAACFBKDM4EALDH1A1

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 KCNK3 2661/4885KCNK9 2409/4885KMT2A 2955/4885

“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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