SCHEMBL6098798

SCHEMBL6098798

O=[C]NCCNCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
MAOA P21397 1/20 0.55
CHRM2 P08172 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
SIGMAR1 Q99720 3/20 0.50
DRD4 P21917 1/20 0.47
ADH1B P00325 1/20 0.45
ADH1C P00326 1/20 0.45
ADH1A P07327 1/20 0.45
ADH7 P40394 1/20 0.45
ACHE P22303 4/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
MPO P05164 1/20 0.44

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
SCHEMBL5764 0.82 MEN1 (1.00) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL27353 0.81 CA2 (0.48) MEN1KMT2ATDP1MAOAGAA
Ammonia Solution, Strong SCHEMBL6678345 0.80 MEN1 (0.94) MEN1KMT2ATDP1MAOACHRM2
Water SCHEMBL4230715 0.80 MEN1 (0.94) MEN1KMT2ATDP1MAOACHRM2
Hydrochloric Acid SCHEMBL5845845 0.80 MEN1 (0.94) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL4913828 0.80 MEN1 (0.94) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL5040570 0.80 MEN1 (0.94) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL4922899 0.80 MEN1 (0.94) MEN1KMT2ATDP1MAOACHRM2
Hydrochloric Acid SCHEMBL11324591 0.80 MEN1 (0.94) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL4969293 0.80 MEN1 (0.94) MEN1KMT2ATDP1MAOACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7094779-B2 Piperazine oxime dervatives having NK-1 receptor antagonistic activity SOLVAY PHARMACEUTICALS B.V. (NL) 2006-08-22 US disclosed
EP-1406894-B1 PIPERAZINE OXIME DERIVATIVES HAVING NK-1 RECEPTOR ANTAGONISTIC ACTIVITY SOLVAY PHARM BV (NL) 2004-12-22 EP disclosed
US-20040176389-A1 Piperazine oxime dervatives having nk-1 receptor antagonistic activity SOLVAY PHARMACEUTICALS B.V. (NL) 2004-09-09 US disclosed
EP-1406894-A1 PIPERAZINE OXIME DERIVATIVES HAVING NK-1 RECEPTOR ANTAGONISTIC ACTIVITY Solvay Pharmaceuticals B.V. (NL) 2004-04-14 EP disclosed
WO-2003006459-A1 PIPERAZINE OXIME DERIVATIVES HAVING NK-1 RECEPTOR ANTAGONISTIC ACTIVITY SOLVAY PHARMACEUTICALS B.V. (NL) 2003-01-23 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-20040176389-A1 Piperazine oxime dervatives having nk-1 receptor antagonistic activity TACR2, OPRK1, TACR1 MEN1 3036/4885KMT2A 615/4885TDP1 2629/4885

“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.