SCHEMBL28562

SCHEMBL28562

NC(=O)N1CCOCC1.Nc1ccc(N2CCCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
GAA P10253 3/20 0.59
MAPT P10636 3/20 0.59
KDM4E B2RXH2 2/20 0.59
ALOX15 P16050 2/20 0.59
HSD17B10 Q99714 2/20 0.59
HTT P42858 2/20 0.59
MEN1 O00255 1/20 0.59
NPC1 O15118 1/20 0.59
USP2 O75604 1/20 0.59
TP53 P04637 1/20 0.59
POLB P06746 1/20 0.59
THRB P10828 1/20 0.59
RECQL P46063 1/20 0.59
RAB9A P51151 1/20 0.59
KMT2A Q03164 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
GFER P55789 2/20 0.50
CASP6 P55212 1/20 0.50

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
SCHEMBL5725441 0.82 GFER (0.71) ALDH1A1GAAMAPTKDM4EALOX15
SCHEMBL27566 0.82 AKR1C3 (0.67) ALDH1A1MAPTKDM4EKMT2ANPSR1
SCHEMBL4989535 0.80 AKR1C3 (0.71) ALDH1A1GAAMAPTGFERCASP6
SCHEMBL1986101 0.78 ALDH1A1 (0.95) ALDH1A1GAAMAPTKDM4EALOX15
SCHEMBL156355 0.78 ALDH1A1 (0.95) ALDH1A1GAAMAPTKDM4EALOX15
SCHEMBL6608042 0.78 ALDH1A1 (0.95) ALDH1A1GAAMAPTKDM4EALOX15
SCHEMBL4386393 0.77 MAPT (0.64) ALDH1A1GAAMAPTKDM4EALOX15
SCHEMBL14528664 0.76 HPGD (0.65) ALDH1A1MAPTKDM4EALOX15HSD17B10
SCHEMBL20631 0.76 MAPT (0.61) ALDH1A1GAAMAPTKDM4EALOX15
Hydrochloric Acid SCHEMBL9014036 0.76 ALDH1A1 (1.00) ALDH1A1GAAMAPTKDM4EALOX15

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 6 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

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-20140128394-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE PTGDR, PTGS1, PTGDR2 ALDH1A1 360/4885GAA 4719/4885MAPT 4854/4885
US-20110319413-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE PTGS1, PTGDR, PTGIS ALDH1A1 257/4885GAA 4734/4885MAPT 4854/4885

“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.