SCHEMBL28114

SCHEMBL28114

CC(CC1CCN(c2ccc(N)cc2)CC1)n1ccnn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
GFER P55789 4/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAD52 P43351 1/20 0.38
HRH3 Q9Y5N1 5/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.38
ADRA2C P18825 1/20 0.38
PTK2B Q14289 1/20 0.38
ESR2 Q92731 1/20 0.38
CASP6 P55212 1/20 0.37
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL26937 0.84 HRH3 (0.47) MAPTSMN1; SMN2HRH3ALDH1A1KMT2A
SCHEMBL15652342 0.76 MAPT (0.46) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL27922 0.74 HPGDS (0.53) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL16448066 0.72 L3MBTL1 (0.42) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL1789020 0.70 MAPT (0.58) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL2608101 0.70 MAPT (0.53) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL15651158 0.68 MAPT (0.52) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL23823269 0.68 MAPT (0.44) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL25188789 0.68 MAPT (0.54) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL21431157 0.67 MAPT (0.53) MAPTGFERKDM4EGAASMN1; SMN2

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 4854/4885GFER 719/4885KDM4E 2921/4885
US-20110319413-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE PTGS1, PTGDR, PTGIS MAPT 4854/4885GFER 485/4885KDM4E 3264/4885

“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.