SCHEMBL5928969

SCHEMBL5928969

CCc1cccc(CC)c1-c1nc(-c2cccc(OC)c2)c(CN2CCCCC2C2CCCCC2)n1CCOC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 2/20 0.37
▸ HCRTR2 O43614 2/20 0.37
▸ ADORA2B P29275 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ KCNK3 O14649 1/20 0.36
▸ KCNK9 Q9NPC2 1/20 0.36
▸ SLC2A1 P11166 4/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TRPV4 Q9HBA0 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ GNRHR P30968 2/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34

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
SCHEMBL5929137 0.92 ADORA2B (0.38) ADORA2BADORA1KCNK3KCNK9SLC2A1
SCHEMBL5929127 0.91 ALDH1A1 (0.35) ADORA1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5929181 0.88 KMT2A (0.34) KCNK3KCNK9KDM4EALDH1A1HPGD
SCHEMBL5929118 0.87 KMT2A (0.36) KDM4EALDH1A1
SCHEMBL5929059 0.83 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL5929248 0.83 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL5929198 0.80 KDM4E (0.45) KCNK3KCNK9SLC2A1KDM4EALDH1A1
SCHEMBL5929310 0.79 KMT2A (0.38) HCRTR1HCRTR2KDM4EALDH1A1OPRK1
SCHEMBL5929000 0.77 CYP3A4 (0.34) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5929210 0.77 KDM4E (0.35) KDM4EALDH1A1HPGDHSD17B10HRH3

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 284/4885HCRTR2 271/4885ADORA2B 70/4885

“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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