SCHEMBL27566

SCHEMBL27566

NC(=O)N1CCOCC1.O=[N+]([O-])c1ccc(N2CCCCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.67
MAPT P10636 5/20 0.66
KMT2A Q03164 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
IDE P14735 1/20 0.53
PHGDH O43175 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
LMNA P02545 2/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL626155 0.84 AKR1C3 (0.67) AKR1C3MAPTKMT2ATDP1SMN1; SMN2
SCHEMBL28562 0.82 ALDH1A1 (0.59) AKR1C3MAPTKMT2AALDH1A1NPSR1
SCHEMBL6607374 0.81 MAPT (1.00) AKR1C3MAPTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL223626 0.81 MAPT (1.00) AKR1C3MAPTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL85552 0.81 MAPT (1.00) AKR1C3MAPTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL4383897 0.80 MAPT (0.72) AKR1C3MAPTKMT2ATDP1IDE
SCHEMBL85548 0.80 AKR1C3 (0.71) AKR1C3MAPTKMT2ATDP1IDE
SCHEMBL378458 0.80 MAPT (0.96) AKR1C3MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL24126653 0.76 AKR1C3 (0.67) AKR1C3MAPTKMT2ATDP1IDE
SCHEMBL4690699 0.76 MAPT (0.71) AKR1C3MAPTKMT2ATDP1IDE

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 AKR1C3 98/4885MAPT 4854/4885KMT2A 3441/4885
US-20110319413-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE PTGS1, PTGDR, PTGIS AKR1C3 187/4885MAPT 4854/4885KMT2A 4129/4885

“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.