SCHEMBL5929050

SCHEMBL5929050

CCc1cccc(CC)c1-c1nc(-c2ccccc2)c(CN2CCOCC2c2ccc(OC)cc2)n1CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 3/20 0.40
▸ GNRHR P30968 1/20 0.36
▸ CFB P00751 1/20 0.36
▸ CETP P11597 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ LMNA P02545 3/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 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
SCHEMBL5929122 0.85 KMT2A (0.41) ALDH1A1LMNAKMT2AMEN1KDM4E
SCHEMBL5929219 0.80 OPRK1 (0.40) CFBALDH1A1KMT2AMEN1KDM4E
SCHEMBL5929363 0.80 KMT2A (0.39) CFBALDH1A1LMNAKMT2ATDP1
SCHEMBL5929135 0.80 GAA (0.41) CFBALDH1A1KMT2AKDM4EMAOB
SCHEMBL5929073 0.79 KMT2A (0.40) ALDH1A1KMT2ANPSR1MEN1HTT
SCHEMBL5928924 0.78 KMT2A (0.37) CFBALDH1A1KMT2ANPSR1MEN1
SCHEMBL5929123 0.76 POLB (0.40) ALDH1A1LMNAKMT2AMEN1KDM4E
SCHEMBL5929141 0.76 KMT2A (0.38) CFBALDH1A1LMNAKMT2AHTT
SCHEMBL5929300 0.75 KDM4E (0.41) ALDH1A1LMNAKMT2AMEN1KDM4E
SCHEMBL5929058 0.75 GAA (0.43) ALDH1A1KMT2AKDM4E

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 SLC2A1 4143/4885GNRHR 748/4885CFB 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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