SCHEMBL458101

SCHEMBL458101

COC(=O)c1ccc(-c2ccc(NC(=O)N3CCC(=Cc4ccccn4)CC3)cn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP2D6 P10635 2/20 0.43
HPGD P15428 1/20 0.43
NAMPT P43490 4/20 0.43
FAAH O00519 1/20 0.42
NPY5R Q15761 2/20 0.41
CYP3A4 P08684 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
P2RY12 Q9H244 1/20 0.39
P2RX7 Q99572 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
SCHEMBL458406 0.90 KDM4E (0.45) KDM4EALDH1A1MAPTMAPK1HTT
SCHEMBL457743 0.90 PTPN1 (0.44) KDM4EALDH1A1MAPTMAPK1HTT
SCHEMBL460114 0.89 NPY5R (0.40) KDM4EALDH1A1MAPTMAPK1HTT
SCHEMBL458769 0.86 NPY5R (0.44) KDM4EALDH1A1MAPTCYP2D6NAMPT
SCHEMBL458368 0.85 KMT2A (0.46) HPGDNAMPTPTPN2PTPN1KMT2A
SCHEMBL460156 0.83 ADORA2A (0.43) ALDH1A1MAPTHSD17B10NAMPTCYP3A4
SCHEMBL457632 0.82 OGA (0.42) KDM4EALDH1A1MAPTMAPK1HTT
SCHEMBL460463 0.81 OGA (0.45) KDM4EALDH1A1MAPTMAPK1HTT
SCHEMBL28802157 0.81 CYP3A4 (0.45) KDM4EALDH1A1MAPTMAPK1HTT
SCHEMBL459476 0.79 NPY5R (0.44) KDM4EALDH1A1MAPTMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 (1 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-20130165438-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS PTGIS, PTGS1, PTGDR KDM4E 2721/4885ALDH1A1 157/4885MAPT 4841/4885

“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.