SCHEMBL27717

SCHEMBL27717

CC(C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.52
MAPT P10636 8/20 0.50
SIRT6 Q8N6T7 2/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
ADRB1 P08588 1/20 0.47
LMNA P02545 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
SCHEMBL22171340 0.82 SIRT6 (0.59) MAPTSIRT6KMT2AMEN1ALDH1A1
SCHEMBL29103 0.81 MAPT (0.60) MAPTSIRT6KMT2AMEN1ALDH1A1
SCHEMBL27012 0.80 MAPT (0.44) MAPTKMT2AMEN1TDP1ALDH1A1
SCHEMBL85548 0.79 AKR1C3 (0.71) AKR1C3MAPTSIRT6KMT2AMEN1
SCHEMBL521556 0.77 KMT2A (0.64) AKR1C3MAPTSIRT6KMT2AMEN1
SCHEMBL27194288 0.76 MAPT (0.61) MAPTSIRT6KMT2AMEN1ALDH1A1
SCHEMBL25197695 0.76 POLB (0.67) AKR1C3MAPTSIRT6KMT2AMEN1
SCHEMBL28241 0.75 KMT2A (0.60) AKR1C3MAPTSIRT6KMT2AMEN1
SCHEMBL27355 0.75 MAPT (0.60) MAPTSIRT6KMT2AMEN1ALDH1A1
SCHEMBL6714560 0.74 MEN1 (0.73) MAPTSIRT6KMT2AMEN1ALDH1A1

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 4854/4885SIRT6 863/4885
US-20110319413-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE PTGS1, PTGDR, PTGIS AKR1C3 187/4885MAPT 4854/4885SIRT6 1129/4885

“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.