SCHEMBL459804

SCHEMBL459804

COC(=O)c1ccc(N2CCC(NC(=O)N3CCC(=Cc4cc(F)ccc4F)CC3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GFER P55789 1/20 0.42
HPGDS O60760 5/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
CCR3 P51677 2/20 0.39
POLB P06746 1/20 0.39
NPY5R Q15761 1/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
SRD5A2 P31213 1/20 0.38
KMT2A Q03164 1/20 0.37

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
SCHEMBL460097 0.81 DRD2 (0.42) HPGDSALDH1A1CCR3POLBUSP2
SCHEMBL458768 0.80 HPGDS (0.41) HPGDSALDH1A1CCR3POLBUSP2
SCHEMBL458157 0.80 EPHX2 (0.43) HPGDSALDH1A1CNR1CNR2CCR3
SCHEMBL459347 0.80 ALDH1A1 (0.45) SMN1; SMN2HPGDSALDH1A1CCR3POLB
SCHEMBL459705 0.79 HPGDS (0.53) MAPTSMN1; SMN2HPGDSALDH1A1
SCHEMBL458154 0.79 CCR3 (0.41) HPGDSALDH1A1CCR3POLBNPY5R
SCHEMBL458159 0.79 EPHX2 (0.46) ALDH1A1CCR3POLBNPY5RUSP2
SCHEMBL460370 0.78 CCR3 (0.51) CCR3KMT2A
SCHEMBL457742 0.78 ALDH1A1 (0.46) SMN1; SMN2HPGDSALDH1A1CNR1CNR2
SCHEMBL460136 0.78 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1CNR1CNR2CCR3

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 9 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
CN-103080086-B Prostaglandin D synthase inhibitory piperidine compounds TAIHO PHARMACEUTICAL CO LTD 2014-11-05 CN 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
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 MAPT 4841/4885SMN1; SMN2 4361/4885GFER 1972/4885

“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.