SCHEMBL5314847

SCHEMBL5314847

O=C(OCc1ccccc1)N1CCN(Cc2nc3ccccc3o2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PARP1 P09874 2/20 0.49
PARP2 Q9UGN5 2/20 0.49
TNKS O95271 1/20 0.49
TNKS2 Q9H2K2 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
TPSAB1 Q15661 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
FNTA P49354 2/20 0.47
FNTB P49356 2/20 0.47
PGGT1B P53609 2/20 0.47
GRIN2B Q13224 2/20 0.47
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46

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
SCHEMBL3906939 0.82 KMT2A (0.61) KMT2AMEN1NPSR1PARP1PARP2
SCHEMBL9963101 0.81 CHRM2 (0.50) KMT2ADRD2DRD4DRD3CACNA1G
SCHEMBL13150429 0.77 FAAH (0.63) KMT2AMEN1NPSR1PARP1PARP2
SCHEMBL20964519 0.77 CACNA1G (0.49) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL7393652 0.76 MEN1 (0.76) KMT2AMEN1NPSR1NPC1RAB9A
SCHEMBL3970912 0.76 MEN1 (0.76) KMT2AMEN1NPSR1NPC1RAB9A
SCHEMBL4814264 0.76 MEN1 (0.76) KMT2AMEN1NPSR1NPC1RAB9A
SCHEMBL379160 0.76 MEN1 (0.76) KMT2AMEN1NPSR1NPC1RAB9A
SCHEMBL23301332 0.75 FAAH (0.61) KMT2AMEN1NPSR1PARP1PARP2
SCHEMBL2565728 0.75 LMNA (0.52) KMT2AMEN1NPSR1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1818326-A1 Nitrogen-containing heterocyclic compounds and pharmaceutical composition containing the compounds Eisai R&D Management Co., Ltd. (JP) 2007-08-15 EP disclosed
EP-1254895-B1 NITROGENOUS CYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME EISAI R&D MAN CO LTD (JP) 2007-05-23 EP disclosed
US-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-04-20 US disclosed
US-6906072-B1 Piperazine compound and pharmaceutical composition containing the compound EISAI CO., LTD. (JP) 2005-06-14 US disclosed
CN-1205185-C Nitrogen-containing cyclic compound and pharmaceutical composition containing the same EISAI CO LTD (JP) 2005-06-08 CN disclosed
US-20040220193-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound EISAI CO., LTD. 2004-11-04 US disclosed
CN-1395562-A Nitrogenous cyclic compounds and pharmaceutical compositions containing the same EISAI CO LTD (JP) 2003-02-05 CN disclosed
EP-1254895-A1 NITROGENOUS CYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-11-06 EP 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 (2 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-20040220193-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1D, CACNA1B, CACNA1E KMT2A 2669/4885MEN1 3051/4885NPSR1 274/4885
US-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1B, CACNA1E, CACNA1D KMT2A 3593/4885MEN1 2708/4885NPSR1 191/4885

“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.