SCHEMBL27355

SCHEMBL27355

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

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.60
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
SIRT6 Q8N6T7 2/20 0.54
ALDH1A1 P00352 6/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAPK1 P28482 1/20 0.52
POLB P06746 2/20 0.50
HTT P42858 1/20 0.50
ADRB1 P08588 1/20 0.50
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 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
SCHEMBL29103 0.87 MAPT (0.60) MAPTMEN1KMT2ASIRT6ALDH1A1
SCHEMBL594849 0.83 MAPT (0.66) MAPTMEN1KMT2ASIRT6ALDH1A1
SCHEMBL22171340 0.82 SIRT6 (0.59) MAPTMEN1KMT2ASIRT6ALDH1A1
SCHEMBL7293241 0.80 MAPT (0.62) MAPTMEN1KMT2ASIRT6ALDH1A1
SCHEMBL27194288 0.79 MAPT (0.61) MAPTMEN1KMT2ASIRT6ALDH1A1
SCHEMBL27789 0.77 MAPT (0.64) MAPTMEN1KMT2ASIRT6ALDH1A1
SCHEMBL6714560 0.77 MEN1 (0.73) MAPTMEN1KMT2ASIRT6ALDH1A1
SCHEMBL25189631 0.77 MEN1 (0.60) MAPTMEN1KMT2ASIRT6ALDH1A1
SCHEMBL3440274 0.77 MAPT (0.59) MAPTMEN1KMT2ASIRT6ALDH1A1
SCHEMBL27832 0.77 SIRT6 (0.59) MAPTMEN1KMT2ASIRT6ALDH1A1

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 MAPT 4854/4885MEN1 3950/4885KMT2A 3441/4885
US-20110319413-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE PTGS1, PTGDR, PTGIS MAPT 4854/4885MEN1 4191/4885KMT2A 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.