SCHEMBL5119081

SCHEMBL5119081

CCC(=O)CCCCC[C@H](NC(=O)Cn1ccnc1)C(=O)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.45
SIGMAR1 Q99720 10/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP2C19 P33261 1/20 0.41
USP2 O75604 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL5124876 0.85 SIGMAR1 (0.57) CCR8SIGMAR1
SCHEMBL5125338 0.85 NMT2 (0.44)
SCHEMBL5188756 0.85 NMT2 (0.44)
SCHEMBL5130455 0.83 BCHE (0.49) CCR8SIGMAR1SMN1; SMN2KDM4ECYP2C19
SCHEMBL5117306 0.83 CCR8 (0.47) CCR8SIGMAR1SMN1; SMN2CYP2C19USP2
SCHEMBL5118332 0.82 CCR8 (0.47) CCR8SIGMAR1SMN1; SMN2CYP2C19USP2
SCHEMBL5165517 0.82 CCR8 (0.46) CCR8SIGMAR1SMN1; SMN2CYP2C19USP2
SCHEMBL5127760 0.81 SIGMAR1 (0.51) SIGMAR1SMN1; SMN2
SCHEMBL5126563 0.81 CCR2 (0.53) SMN1; SMN2
SCHEMBL5121666 0.79 CYP2C19 (0.53) SIGMAR1SMN1; SMN2CYP2C19CYP2D6CYP2C9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGE (IT) 2008-09-11 US claimed
US-20140051716-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENTIFIC AB 2014-02-20 US disclosed
US-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGE (IT) 2008-09-11 US disclosed
EP-1768955-A1 AMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-04-04 EP disclosed
WO-2006005941-A1 AMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI S.P.A. (IT) 2006-01-19 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 (2 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-20140051716-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 CCR8 2140/4885SIGMAR1 4156/4885SMN1; SMN2 2901/4885
US-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC4 CCR8 4539/4885SIGMAR1 3350/4885SMN1; SMN2 1329/4885

“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.