SCHEMBL457638

SCHEMBL457638

NC1CCN(c2ccc(CCn3ccnn3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.50
L3MBTL3 Q96JM7 12/20 0.42
L3MBTL1 Q9Y468 10/20 0.42
TP53BP1 Q12888 2/20 0.42
MBTD1 Q05BQ5 1/20 0.42
SPHK1 Q9NYA1 1/20 0.39

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
SCHEMBL14119801 0.92 HPGDS (0.52) HPGDSL3MBTL3L3MBTL1TP53BP1MBTD1
SCHEMBL15070464 0.87 HPGDS (0.55) HPGDSL3MBTL3L3MBTL1TP53BP1MBTD1
SCHEMBL459764 0.80 HPGDS (0.64) HPGDSL3MBTL3L3MBTL1TP53BP1MBTD1
SCHEMBL27922 0.74 HPGDS (0.53) HPGDSL3MBTL1
SCHEMBL15051376 0.74 GFER (0.45) HPGDS
SCHEMBL14119432 0.73 HPGDS (0.55) HPGDS
SCHEMBL8730118 0.72 L3MBTL3 (0.44) L3MBTL3L3MBTL1TP53BP1MBTD1SPHK1
SCHEMBL14217337 0.72 SPHK1 (0.51) L3MBTL3L3MBTL1TP53BP1MBTD1SPHK1
SCHEMBL23000066 0.71 HPGDS (0.64) HPGDSL3MBTL3
SCHEMBL6760657 0.70 CYP19A1 (0.67)

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2527340-B1 PIPERAZINE COMPOUND HAVING A PGDS INHIBITORY EFFECT TAIHO PHARMACEUTICAL CO LTD (JP) 2016-08-17 EP disclosed
EP-2615084-B1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS TAIHO PHARMACEUTICAL CO LTD (JP) 2016-01-06 EP disclosed
US-9181183-B2 Prostaglandin D synthase inhibitory piperidine compounds TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US disclosed
CN-103080086-B Prostaglandin D synthase inhibitory piperidine compounds TAIHO PHARMACEUTICAL CO LTD 2014-11-05 CN disclosed
CN-102712626-B Piperazine compounds having PGDS inhibitory effect TAIHO PHARMACEUTICAL CO LTD 2014-09-17 CN disclosed
US-8765750-B2 Piperazine compound having a PGDS inhibitory effect TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-07-01 US disclosed
EP-2615084-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS Taiho Pharmaceutical Co., Ltd. (JP) 2013-07-17 EP disclosed
US-20130165438-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-27 US disclosed
CN-103080086-A Prostaglandin D synthase inhibitory piperidine compounds TAIHO PHARMACEUTICAL CO LTD 2013-05-01 CN disclosed
US-20120309760-A1 PIPERAZINE COMPOUND HAVING A PGDS INHIBITORY EFFECT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2012-12-06 US disclosed
CN-102712626-A Piperazine compounds having PGDS inhibitory effect TAIHO PHARMACEUTICAL CO LTD 2012-10-03 CN disclosed
WO-2012033069-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS 大鵬薬品工業株式会社 (JP) 2012-03-15 WO 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-20120309760-A1 PIPERAZINE COMPOUND HAVING A PGDS INHIBITORY EFFECT GRIK5, GRK5, KCNJ5 HPGDS 14/4885L3MBTL3 4147/4885L3MBTL1 3806/4885
US-20130165438-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS PTGIS, PTGS1, PTGDR HPGDS 5/4885L3MBTL3 4875/4885L3MBTL1 4781/4885

“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.