SCHEMBL5121666

SCHEMBL5121666

CCC(=O)CCCCC[C@H](NC(=O)C1CCN(C)CC1)C(=O)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.46
HDAC1 Q13547 6/20 0.46
HDAC3 O15379 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
ABL1 P00519 1/20 0.44
RIN1 Q13671 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL5130455 0.88 BCHE (0.49) CYP2C19SMN1; SMN2CYP2D6CYP2C9SIGMAR1
SCHEMBL5124876 0.86 SIGMAR1 (0.57) SIGMAR1
SCHEMBL5117306 0.84 CCR8 (0.47) CYP2C19SMN1; SMN2CYP2D6CYP2C9SIGMAR1
SCHEMBL5140697 0.84 HDAC1 (0.47) SMN1; SMN2L3MBTL1HDAC1HDAC3HDAC6
SCHEMBL5127059 0.84 HDAC1 (0.47) SMN1; SMN2L3MBTL1HDAC1HDAC3HDAC6
SCHEMBL14264751 0.84 CYP2C19 (0.64) CYP2C19SMN1; SMN2L3MBTL1CYP2D6CYP2C9
SCHEMBL5118332 0.83 CCR8 (0.47) CYP2C19SMN1; SMN2CYP2D6CYP2C9SIGMAR1
SCHEMBL5131151 0.82 HDAC1 (0.56) CYP2C19HDAC1HDAC3HDAC6HDAC2
SCHEMBL5165517 0.82 CCR8 (0.46) CYP2C19SMN1; SMN2CYP2D6CYP2C9SIGMAR1
SCHEMBL5126563 0.82 CCR2 (0.53) SMN1; SMN2

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 7 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-20230094176-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENT AB (SE) 2023-03-30 US disclosed
US-20210060014-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENTIFIC AB (SE) 2021-03-04 US disclosed
US-20170020874-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENT AB (SE) 2017-01-26 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 (4 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-20170020874-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 CYP2C19 3539/4885SMN1; SMN2 2901/4885L3MBTL1 1891/4885
US-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC4 CYP2C19 3333/4885SMN1; SMN2 1329/4885L3MBTL1 2041/4885
US-20210060014-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 CYP2C19 3539/4885SMN1; SMN2 2901/4885L3MBTL1 1891/4885
US-20230094176-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC2, HDAC1 CYP2C19 3598/4885SMN1; SMN2 3053/4885L3MBTL1 1834/4885

“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.