SCHEMBL5929038

SCHEMBL5929038

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 3/20 0.40
▸ DRD4 P21917 3/20 0.40
▸ DRD3 P35462 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PSEN1 P49768 1/20 0.37
▸ PSEN2 P49810 1/20 0.37
▸ APH1B Q8WW43 1/20 0.37
▸ NCSTN Q92542 1/20 0.37
▸ APH1A Q96BI3 1/20 0.37
▸ PSENEN Q9NZ42 1/20 0.37
▸ CFB P00751 2/20 0.36
▸ SLC2A1 P11166 2/20 0.35
▸ CRHR1 P34998 1/20 0.35

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
SCHEMBL5929363 0.94 KMT2A (0.39) DRD2DRD3ALDH1A1KMT2AMEN1
SCHEMBL5929141 0.93 KMT2A (0.38) DRD2DRD3ALDH1A1KMT2AKDM4E
SCHEMBL5929078 0.91 KCNK3 (0.37) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL5928966 0.91 ALDH1A1 (0.42) DRD2DRD4DRD3ALDH1A1KMT2A
SCHEMBL5928984 0.91 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL5929090 0.90 KDM4E (0.38) ALDH1A1KMT2AKDM4EGAASMN1; SMN2
SCHEMBL5929122 0.90 KMT2A (0.41) DRD2DRD3ALDH1A1KMT2AMEN1
SCHEMBL5929296 0.90 GAA (0.35) ALDH1A1KMT2AKDM4EGAATSHR
SCHEMBL5928934 0.89 LMNA (0.37) DRD2DRD4DRD3ALDH1A1KMT2A
SCHEMBL5928924 0.89 KMT2A (0.37) DRD2DRD3ALDH1A1KMT2AMEN1

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 DRD2 2072/4885DRD4 2645/4885DRD3 2461/4885

“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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