SCHEMBL27013

SCHEMBL27013

Nc1ccc(N2CCC(CCN3CCOCC3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.49
L3MBTL3 Q96JM7 1/20 0.48
HTR7 P34969 1/20 0.44
GAA P10253 4/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 3/20 0.44
GFER P55789 3/20 0.44
RAD52 P43351 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 2/20 0.44
ADRA2C P18825 1/20 0.44
PTK2B Q14289 1/20 0.44
ESR2 Q92731 1/20 0.44
CD274 Q9NZQ7 1/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL29367 0.85 MAPT (0.46) HPGDSL3MBTL3GAAMAPTKDM4E
SCHEMBL27718 0.80 KMT2A (0.56) HPGDSHTR7MAPTSMN1; SMN2ALDH1A1
SCHEMBL10054726 0.79 MAPT (0.50) L3MBTL3HTR7GAAMAPTKDM4E
SCHEMBL1663488 0.79 KDM4E (0.50) GAAMAPTKDM4EGFERSMN1; SMN2
SCHEMBL1663485 0.79 KDM4E (0.43) MAPTKDM4EALDH1A1KMT2AHTT
SCHEMBL25188789 0.76 MAPT (0.54) L3MBTL3HTR7GAAMAPTKDM4E
SCHEMBL2448590 0.76 MAPT (0.47) L3MBTL3GAAMAPTKDM4EGFER
SCHEMBL15650569 0.76 MAPT (0.50) L3MBTL3HTR7GAAMAPTKDM4E
SCHEMBL2608101 0.76 MAPT (0.53) L3MBTL3GAAMAPTKDM4EGFER
SCHEMBL14346795 0.75 GFER (0.47) HTR7GAAMAPTKDM4EGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2407466-B1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE TAIHO PHARMACEUTICAL CO LTD (JP) 2016-01-13 EP disclosed
US-9062035-B2 Piperazine compound capable of inhibiting prostaglandin D synthase TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-06-23 US disclosed
US-8865714-B2 Piperazine compound capable of inhibiting prostaglandin D synthase TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-10-21 US disclosed
US-20140128394-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-05-08 US disclosed
EP-2407466-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE Taiho Pharmaceutical Co., Ltd. (JP) 2012-01-18 EP disclosed
US-20110319413-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2011-12-29 US disclosed
US-20110294749-A1 DIAMINOPYRIMIDINECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-12-01 US disclosed
EP-1518855-B1 DIAMINOPYRIMIDINECARBOXA MIDE DERIVATIVE ASTELLAS PHARMA INC (JP) 2011-10-26 EP disclosed
US-8012959-B2 Diaminopyrimidinecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2011-09-06 US disclosed
US-20090281072-A1 Diaminopyrimidinecarboxamide Derivative ASTELLAS PHARM INC. (JP) 2009-11-12 US disclosed
US-7449456-B2 Diaminopyrimidinecarboxamide derivative ASTELLAS PHARMA, INC. (JP) 2008-11-11 US disclosed
US-20050272753-A1 Diaminopyrimidinecarboxa mide derivative ASTELLAS PHARMA INC. (JP) 2005-12-08 US disclosed
EP-1518855-A1 DIAMINOPYRIMIDINECARBOXA MIDE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2005-03-30 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 (5 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-20110294749-A1 DIAMINOPYRIMIDINECARBOXAMIDE DERIVATIVE STAT6, STAT4, STAT3 HPGDS 1609/4885L3MBTL3 1409/4885HTR7 3474/4885
US-20140128394-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE PTGDR, PTGS1, PTGDR2 HPGDS 9/4885L3MBTL3 4755/4885HTR7 699/4885
US-20050272753-A1 Diaminopyrimidinecarboxa mide derivative STAT5A, STAT6, STAT4 HPGDS 2329/4885L3MBTL3 1398/4885HTR7 3065/4885
US-20090281072-A1 Diaminopyrimidinecarboxamide Derivative STAT6, STAT4, STAT3 HPGDS 1609/4885L3MBTL3 1409/4885HTR7 3474/4885
US-20110319413-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE PTGS1, PTGDR, PTGIS HPGDS 10/4885L3MBTL3 4745/4885HTR7 1086/4885

“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.