SCHEMBL13899773

SCHEMBL13899773

CN(C=O)CCCN1CCN(C)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.42
SIGMAR1 Q99720 2/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
RAD52 P43351 1/20 0.35
KMT2A Q03164 1/20 0.35
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
CSNK2A3 Q8NEV1 1/20 0.34
TSHR P16473 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
MAPT P10636 1/20 0.32
KDM1A O60341 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
SCHEMBL13899776 0.88 PAOX (0.36) PAOXSIGMAR1ALDH1A1MEN1RAD52
SCHEMBL13899774 0.86 HRH3 (0.43) SIGMAR1MAPT
SCHEMBL6039721 0.81 ALDH1A1 (0.44) SIGMAR1ALDH1A1MAPTKDM1A
SCHEMBL20332905 0.79 PAOX (0.45) PAOXSIGMAR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL7029723 0.77 ALOX15 (0.46) PAOXSIGMAR1ALDH1A1CSNK2A2CSNK2B
SCHEMBL19324186 0.74 PAOX (0.43) PAOXSIGMAR1ALDH1A1CSNK2A2CSNK2B
SCHEMBL21634183 0.74 SIGMAR1 (0.45) PAOXSIGMAR1
SCHEMBL20332960 0.74 PAOX (0.41) PAOXSIGMAR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL6600771 0.74 SMN1; SMN2 (0.45) SIGMAR1ALDH1A1MAPT
SCHEMBL15340822 0.74 PAOX (0.41) PAOXSIGMAR1ALDH1A1CSNK2A2CSNK2B

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-7504399-B2 Piperazine enamines as antiviral agents BRISTOL-MEYERS SQUIBB COMPANY (US) 2009-03-17 US disclosed
US-20070287712-A1 Piperazine Enamines as Antiviral Agents BRISTOL-MYERS SQUIBB COMPANY 2007-12-13 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-20070287712-A1 Piperazine Enamines as Antiviral Agents INMT, ITPA, IDO1 PAOX 3670/4885SIGMAR1 779/4885ALDH1A1 1893/4885

“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.