SCHEMBL13899776

SCHEMBL13899776

CN(C=O)CCN1CCN(C)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
SIGMAR1 Q99720 8/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
RAD52 P43351 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR1A P08908 1/20 0.31
MC4R P32245 1/20 0.31

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
SCHEMBL13899773 0.88 PAOX (0.42) PAOXALDH1A1MAPTSIGMAR1MEN1
SCHEMBL6600771 0.85 SMN1; SMN2 (0.45) ALDH1A1MAPTSIGMAR1SMN1; SMN2
SCHEMBL13880146 0.83 SMN1; SMN2 (0.48) ALDH1A1MAPTSIGMAR1SMN1; SMN2
SCHEMBL6446184 0.80 GLA (0.40) PAOXALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6652891 0.80 ALDH1A1 (0.54) ALDH1A1MAPTSIGMAR1SMN1; SMN2MEN1
SCHEMBL16708776 0.79 CARM1 (0.44) SIGMAR1MEN1KMT2AHTR1A
SCHEMBL15065306 0.77 SIGMAR1 (0.46) PAOXSIGMAR1
SCHEMBL19212956 0.75 PIM1 (0.39) PAOXALDH1A1MAPTSIGMAR1MC4R
SCHEMBL134397 0.75 PIM1 (0.39) PAOXALDH1A1MAPTSIGMAR1MC4R
SCHEMBL14142584 0.75 PIM1 (0.39) PAOXALDH1A1MAPTSIGMAR1MC4R

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 3670/4885ALDH1A1 1893/4885MAPT 3675/4885

“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.