SCHEMBL460042

SCHEMBL460042

Cc1cccnc1C(=O)N1CCC(NC(=O)N2CCC(=Cc3cc(F)ccc3F)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MLNR O43193 4/20 0.38
KDM5A P29375 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
OPRM1 P35372 1/20 0.37
CLK1 P49759 1/20 0.37
CCR3 P51677 3/20 0.37
HPGDS O60760 1/20 0.37
PDE4B Q07343 2/20 0.37
HRH1 P35367 1/20 0.37
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
CYP2D6 P10635 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
SCHEMBL459850 0.85 EPHX2 (0.52) KDM5ACCR3
SCHEMBL459399 0.83 CCR3 (0.40) KMT2AOPRM1CCR3HPGDSHRH1
SCHEMBL460370 0.82 CCR3 (0.51) KMT2ACCR3
SCHEMBL460605 0.81 NPC1 (0.43) KMT2AFNTAFNTBOPRM1
SCHEMBL460548 0.81 EPHX2 (0.53) KMT2ACCR3HPGDSUSP2
SCHEMBL459356 0.81 CCR3 (0.53) KMT2ACCR3TSHRCYP2D6
SCHEMBL460179 0.80 USP2 (0.46) KMT2ACCR3HPGDSUSP2
SCHEMBL459909 0.80 CCR3 (0.40) OPRM1CCR3HPGDSHRH1CYP2D6
SCHEMBL458157 0.80 EPHX2 (0.43) KMT2ACCR3HPGDSUSP2TSHR
SCHEMBL459347 0.79 ALDH1A1 (0.45) KMT2ACCR3HPGDSUSP2TSHR

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 3659/4885MLNR 4330/4885KDM5A 1750/4885

“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.