SCHEMBL5929019

SCHEMBL5929019

CCCCc1ccc(-c2nc(-c3c(CC)cccc3CC)n(CC)c2CN2CCCCC2c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CFB P00751 2/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.33
▸ CTSD P07339 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ HTT P42858 1/20 0.32

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
SCHEMBL5929296 0.95 GAA (0.35) GAAKMT2ACFBTSHRNPSR1
SCHEMBL5929363 0.91 KMT2A (0.39) GAAKMT2ACFBALDH1A1KDM4E
SCHEMBL5929141 0.90 KMT2A (0.38) GAAKMT2ACFBHSD11B1ALDH1A1
SCHEMBL5929038 0.88 DRD2 (0.40) GAAKMT2ACFBTSHRALDH1A1
SCHEMBL5928984 0.88 ALDH1A1 (0.41) GAAKMT2ACFBALDH1A1KDM4E
SCHEMBL5929078 0.87 KCNK3 (0.37) GAAKMT2ACFBTSHRALDH1A1
SCHEMBL5929122 0.87 KMT2A (0.41) GAAKMT2AALDH1A1KDM4EMAPT
SCHEMBL5929090 0.87 KDM4E (0.38) GAAKMT2ACFBALDH1A1KDM4E
SCHEMBL5928924 0.86 KMT2A (0.37) GAAKMT2ACFBNPSR1ALDH1A1
SCHEMBL5929174 0.86 CFB (0.37) GAAKMT2ACFBNPSR1ALDH1A1

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 GAA 4885/4885KMT2A 2955/4885CFB 26/4885

“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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