SCHEMBL460556

SCHEMBL460556

O=C(NC1CCN(c2ccc(CCO)cc2)CC1)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
GAA P10253 1/20 0.56
ME3 Q16798 1/20 0.56
CTSL P07711 1/20 0.55
CTSB P07858 1/20 0.55
CTSK P43235 1/20 0.55
TSHR P16473 1/20 0.54
EPHX1 P07099 1/20 0.54
CHRM4 P08173 2/20 0.52
DPP4 P27487 3/20 0.50
KCNH2 Q12809 3/20 0.50
DPP7 Q9UHL4 3/20 0.50
HSD11B1 P28845 1/20 0.48
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
TGM2 P21980 2/20 0.47
F13A1 P00488 1/20 0.47
TGM1 P22735 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 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
SCHEMBL459989 0.84 ALDH1A1 (0.56) ALDH1A1GAAME3CTSLCTSB
SCHEMBL6190799 0.84 ALDH1A1 (0.58) ALDH1A1GAAME3CTSLCTSB
SCHEMBL14119432 0.82 HPGDS (0.55) ALDH1A1GAAME3CTSLCTSB
SCHEMBL458122 0.81 ALDH1A1 (0.53) ALDH1A1GAAME3CTSLCTSB
SCHEMBL22119679 0.81 ALDH1A1 (0.53) ALDH1A1GAAME3CTSLCTSB
SCHEMBL458774 0.81 MEN1 (0.50) ALDH1A1GAAME3CTSLCTSB
SCHEMBL8231947 0.80 CTSL (0.60) ALDH1A1GAAME3CTSLCTSB
SCHEMBL2406037 0.80 CTSL (0.60) ALDH1A1GAAME3CTSLCTSB
SCHEMBL20064091 0.79 ALDH1A1 (0.72) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL3948461 0.78 ALDH1A1 (0.85) ALDH1A1GAACTSLCTSBCTSK

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 8 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
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
US-20120309760-A1 PIPERAZINE COMPOUND HAVING A PGDS INHIBITORY EFFECT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2012-12-06 US 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 ALDH1A1 1745/4885GAA 2719/4885ME3 1386/4885
US-20130165438-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS PTGIS, PTGS1, PTGDR ALDH1A1 157/4885GAA 2192/4885ME3 2983/4885

“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.