SCHEMBL13899774

SCHEMBL13899774

CN(C=O)CCCN1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
SIGMAR1 Q99720 5/20 0.40
CYP1A2 P05177 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 2/20 0.35
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
PRMT8 Q9NR22 1/20 0.34

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
SCHEMBL6600771 0.88 SMN1; SMN2 (0.45) HRH3SMN1; SMN2SIGMAR1MAPTCARM1
SCHEMBL13899773 0.86 PAOX (0.42) SIGMAR1MAPT
SCHEMBL13880146 0.86 SMN1; SMN2 (0.48) HRH3SMN1; SMN2SIGMAR1CYP1A2MAPT
SCHEMBL6039721 0.83 ALDH1A1 (0.44) SMN1; SMN2SIGMAR1MAPT
SCHEMBL7649942 0.76 HRH3 (0.52) HRH3SMN1; SMN2SIGMAR1CYP1A2MAPK1
SCHEMBL3861129 0.76 HRH3 (0.43) HRH3SMN1; SMN2CYP1A2MAPK1MAPT
SCHEMBL7649376 0.74 HRH3 (0.56) HRH3SMN1; SMN2SIGMAR1CYP1A2MAPK1
SCHEMBL12553864 0.74 SMN1; SMN2 (0.54) SMN1; SMN2CARM1PRMT6PRMT8
SCHEMBL17526227 0.74 SIGMAR1 (0.55) HRH3SIGMAR1
SCHEMBL17526223 0.74 SIGMAR1 (0.55) HRH3SIGMAR1

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 HRH3 1610/4885SMN1; SMN2 3295/4885SIGMAR1 779/4885

“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.