SCHEMBL458368

SCHEMBL458368

O=C(NC1CC1)c1ccc(-c2ccc(NC(=O)N3CCC(=Cc4ccccn4)CC3)cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
PTPN1 P18031 2/20 0.42
PTPN2 P17706 1/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
ATR Q13535 2/20 0.41
HPGDS O60760 1/20 0.41
NAMPT P43490 4/20 0.41
USP30 Q70CQ3 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MCHR1 Q99705 1/20 0.40
PTPN6 P29350 1/20 0.39
PTPN11 Q06124 1/20 0.39
HPGD P15428 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
SCHEMBL457743 0.88 PTPN1 (0.44) PTPN1PTPN2NAMPTPTPN6PTPN11
SCHEMBL458769 0.86 NPY5R (0.44) KMT2APTPN1PTPN2NAMPTPTPN6
SCHEMBL458101 0.85 KDM4E (0.45) KMT2APTPN1PTPN2NAMPTHPGD
SCHEMBL460114 0.84 NPY5R (0.40) PTPN1PTPN2ATRNAMPT
SCHEMBL460156 0.84 ADORA2A (0.43) KMT2APTPN1PTPN2TSHRNAMPT
SCHEMBL459476 0.77 NPY5R (0.44) KMT2ANAMPTHPGD
SCHEMBL15051927 0.77 NPY5R (0.46)
SCHEMBL458406 0.75 KDM4E (0.45) KMT2AUSP2TSHRNAMPTHPGD
SCHEMBL15051079 0.75 KDM4E (0.46) HPGD
SCHEMBL458637 0.73 MAPT (0.53) KMT2ATSHRHPGD

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
US-9181183-B2 Prostaglandin D synthase inhibitory piperidine compounds TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US claimed
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
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
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 KMT2A 3659/4885PTPN1 3511/4885PTPN2 3632/4885

“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.