SCHEMBL5929099

SCHEMBL5929099

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 4/20 0.38
▸ NR1H2 P55055 2/20 0.37
▸ NR1H3 Q13133 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ GRM2 Q14416 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ HCRTR2 O43614 3/20 0.34
▸ ABHD6 Q9BV23 1/20 0.34
▸ CFB P00751 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ PIK3CD O00329 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
SCHEMBL5929090 0.90 KDM4E (0.38) HCRTR1NR1H2NR1H3KDM4EGAA
SCHEMBL5929122 0.90 KMT2A (0.41) KDM4EGAAKMT2AALDH1A1MAPT
SCHEMBL5928924 0.90 KMT2A (0.37) KDM4EGAAKMT2AALDH1A1MAPT
SCHEMBL5929363 0.89 KMT2A (0.39) KDM4EGAAKMT2AALDH1A1MAPT
SCHEMBL5928984 0.88 ALDH1A1 (0.41) KDM4EGAAKMT2AALDH1A1MAPT
SCHEMBL5929141 0.88 KMT2A (0.38) KDM4EGAAKMT2AALDH1A1MAPT
SCHEMBL5929192 0.87 KMT2A (0.39) KDM4EGAAKMT2AALDH1A1MAPT
SCHEMBL5929038 0.87 DRD2 (0.40) KDM4EGAAKMT2AALDH1A1CFB
SCHEMBL5929174 0.86 CFB (0.37) KDM4EGAAKMT2AALDH1A1MAPT
SCHEMBL5929296 0.85 GAA (0.35) KDM4EGAAKMT2AALDH1A1MAPT

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 HCRTR1 284/4885NR1H2 381/4885NR1H3 420/4885

“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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