SCHEMBL5929063

SCHEMBL5929063

CCOc1ccc(C2CCCCN2Cc2c(Cl)nc(-c3c(CC)cccc3CC)n2C)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ GAA P10253 2/20 0.35
▸ CD274 Q9NZQ7 1/20 0.35
▸ ALDH1A1 P00352 6/20 0.34
▸ KDM4E B2RXH2 5/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ OPRM1 P35372 2/20 0.33
▸ OPRK1 P41145 2/20 0.33
▸ RORC P51449 1/20 0.33
▸ CPT2 P23786 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
SCHEMBL5929216 0.81 OPRK1 (0.39) KMT2AGAAALDH1A1KDM4EMAPT
SCHEMBL5928948 0.81 OPRK1 (0.40) KMT2AGAAALDH1A1KDM4EMAPT
SCHEMBL5929331 0.80 ALDH1A1 (0.33) NPSR1KMT2AALDH1A1KDM4EMEN1
SCHEMBL5929073 0.79 KMT2A (0.40) NPSR1KMT2AGAACD274ALDH1A1
SCHEMBL5929002 0.79 CD274 (0.36) NPSR1HSP90AA1KMT2AGAACD274
SCHEMBL5929055 0.78 CFB (0.44) KMT2AGAAALDH1A1KDM4EMAPT
SCHEMBL5929125 0.78 GAA (0.40) NPSR1KMT2AGAAALDH1A1KDM4E
SCHEMBL5928924 0.78 KMT2A (0.37) NPSR1HSP90AA1KMT2AGAACD274
SCHEMBL5929057 0.77 CFB (0.43) KMT2AGAAALDH1A1KDM4EMAPT
SCHEMBL5929121 0.77 KMT2A (0.40) KMT2AGAAALDH1A1KDM4EMEN1

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 NPSR1 167/4885HSP90AA1 4634/4885KMT2A 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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