SCHEMBL5929059

SCHEMBL5929059

CCc1cccc(CC)c1-c1nc(Br)c(CN2CCCCC2C2CCCCC2)n1CCOC

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ TSHR P16473 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HRH1 P35367 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ CASR P41180 1/20 0.30
▸ DPP4 P27487 1/20 0.30

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
SCHEMBL5929248 0.89 KDM4E (0.33) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL5928992 0.89 CYP3A4 (0.36) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL5929127 0.86 ALDH1A1 (0.35) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL5929181 0.86 KMT2A (0.34) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL5928890 0.83 KDM4E (0.32) KDM4EALDH1A1
SCHEMBL5928969 0.83 HCRTR1 (0.37) KDM4EALDH1A1
SCHEMBL5929118 0.83 KMT2A (0.36) KDM4EALDH1A1KMT2ANPSR1
SCHEMBL5929060 0.77 CYP3A4 (0.36) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL5929125 0.76 GAA (0.40) KDM4EALDH1A1KMT2ATSHRSMN1; SMN2
SCHEMBL5929178 0.76 OPRK1 (0.39) KDM4EALDH1A1MEN1KMT2A

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 KDM4E 1762/4885ALDH1A1 3884/4885MEN1 2791/4885

“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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