SCHEMBL4938951

SCHEMBL4938951

CCCCCC(C(N)=O)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KCNA5 P22460 4/20 0.42
KCNH2 Q12809 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
ALOX12 P18054 1/20 0.40
CYP2D6 P10635 1/20 0.40
KCNE1 P15382 1/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 3/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
KCNJ5 P48544 1/20 0.39
KCNJ3 P48549 1/20 0.39
SCN5A Q14524 1/20 0.39

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
SCHEMBL18248622 0.99 CYP2C19 (0.45) CYP2C19CYP1A2ALDH1A1KCNA5KCNH2
SCHEMBL18248588 0.99 CYP2C19 (0.45) CYP2C19CYP1A2ALDH1A1KCNA5KCNH2
SCHEMBL22610224 0.95 CYP2C19 (0.47) CYP2C19CYP1A2ALDH1A1KCNA5KCNH2
SCHEMBL18248644 0.91 FAAH (0.47) CYP2C19CYP1A2MEN1KMT2ACYP3A4
SCHEMBL18248639 0.91 FAAH (0.47) CYP2C19CYP1A2MEN1KMT2ACYP3A4
SCHEMBL18248490 0.91 FAAH (0.47) CYP2C19CYP1A2MEN1KMT2ACYP3A4
SCHEMBL31295913 0.89 CYP2C19 (0.49) CYP2C19CYP1A2ALDH1A1KCNA5KCNH2
SCHEMBL27751215 0.89 CYP2C19 (0.49) CYP2C19CYP1A2ALDH1A1KCNA5KCNH2
SCHEMBL18248607 0.89 KDM4E (0.47) KDM4E
SCHEMBL1065476 0.87 CYP2C19 (0.44) CYP2C19CYP1A2ALDH1A1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269494-A1 Process for the Preparation of Alpha-Aryl-Alpha-Piperid-2-Yl-Acetamides and the Acid Hydrolysis Thereof ARCHIMICA S.R.L. (IT) 2008-10-30 US claimed
EP-1868996-A1 A PROCESS FOR THE PREPARATION OF ALPHA-ARYL-ALPHA-PIPERID-2-YL-ACETAMIDES AND THE ACID HYDROLYSIS THEREOF Archimica S.r.l. (IT) 2007-12-26 EP claimed
WO-2006064052-A1 A PROCESS FOR THE PREPARATION OF ALPHA-ARYL-ALPHA-PIPERID-2-YL-ACETAMIDES AND THE ACID HYDROLYSIS THEREOF ARCHIMICA S.R.L. (IT) 2006-06-22 WO claimed
US-20080269494-A1 Process for the Preparation of Alpha-Aryl-Alpha-Piperid-2-Yl-Acetamides and the Acid Hydrolysis Thereof ARCHIMICA S.R.L. (IT) 2008-10-30 US disclosed
EP-1868996-A1 A PROCESS FOR THE PREPARATION OF ALPHA-ARYL-ALPHA-PIPERID-2-YL-ACETAMIDES AND THE ACID HYDROLYSIS THEREOF Archimica S.r.l. (IT) 2007-12-26 EP disclosed
WO-2006064052-A1 A PROCESS FOR THE PREPARATION OF ALPHA-ARYL-ALPHA-PIPERID-2-YL-ACETAMIDES AND THE ACID HYDROLYSIS THEREOF ARCHIMICA S.R.L. (IT) 2006-06-22 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-20080269494-A1 Process for the Preparation of Alpha-Aryl-Alpha-Piperid-2-Yl-Acetamides and the Acid Hydrolysis Thereof ADRA2A, ARSA, CYP1A2 CYP2C19 96/4885CYP1A2 3/4885ALDH1A1 79/4885

“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.