SCHEMBL5928942

SCHEMBL5928942

CCCCn1c(-c2c(C)ccc3[nH]ncc23)nc(Cl)c1CN1CCCCC1c1ccc(OC)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CFB P00751 7/20 0.37
▸ C5AR1 P21730 1/20 0.35
▸ OPRK1 P41145 2/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ OPRM1 P35372 1/20 0.33
▸ ROCK2 O75116 2/20 0.33
▸ CCR2 P41597 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ KRAS P01116 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CLK1 P49759 1/20 0.33
▸ POLB P06746 1/20 0.32

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
SCHEMBL5928941 0.86 KDM4E (0.39) CFBOPRK1DRD2DRD3OPRM1
SCHEMBL5929301 0.86 KDM4E (0.39) CFBOPRK1DRD2DRD3OPRM1
SCHEMBL5929052 0.86 KDM4E (0.39) CFBOPRK1DRD2DRD3OPRM1
SCHEMBL5929216 0.81 OPRK1 (0.39) OPRK1DRD2DRD3OPRM1MEN1
SCHEMBL5929251 0.77 CFB (0.40) CFBMEN1KMT2AKDM4EALDH1A1
SCHEMBL5929025 0.76 CFB (0.37) CFBMEN1KMT2AKDM4EALDH1A1
SCHEMBL5928948 0.74 OPRK1 (0.40) OPRK1DRD2DRD3OPRM1MEN1
SCHEMBL5929074 0.73 HAVCR2 (0.39) C5AR1KRAS
SCHEMBL5929255 0.73 KMT2A (0.38) CFBDRD2DRD3MEN1KMT2A
SCHEMBL5928918 0.72 KDM4E (0.46) CFBOPRK1DRD2DRD3OPRM1

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 2 patents. 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
WO-2005007087-A2 SUBSTITUTED (HETEROCYCLOALKYL)METHYL AZOLE DERIVATIVES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2005-01-27 — — WO 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 CFB 26/4885C5AR1 1/4885OPRK1 523/4885

“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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