SCHEMBL458768

SCHEMBL458768

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
CCR3 P51677 2/20 0.38
KMT2A Q03164 4/20 0.38
NPC1 O15118 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
NTRK1 P04629 1/20 0.37
SRD5A2 P31213 1/20 0.37
EPHX1 P07099 1/20 0.36
EPHX2 P34913 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
SCHEMBL460097 0.93 DRD2 (0.42) HPGDSALDH1A1POLBUSP2TSHR
SCHEMBL458157 0.92 EPHX2 (0.43) HPGDSALDH1A1POLBUSP2TSHR
SCHEMBL459705 0.87 HPGDS (0.53) HPGDSALDH1A1NPC1NTRK1EPHX1
SCHEMBL459347 0.85 ALDH1A1 (0.45) HPGDSALDH1A1POLBUSP2TSHR
SCHEMBL458159 0.85 EPHX2 (0.46) ALDH1A1POLBUSP2TSHRCCR3
SCHEMBL458154 0.85 CCR3 (0.41) HPGDSALDH1A1POLBUSP2TSHR
SCHEMBL457669 0.84 HPGDS (0.44) HPGDSCCR3
SCHEMBL457742 0.84 ALDH1A1 (0.46) HPGDSALDH1A1POLBUSP2TSHR
SCHEMBL460136 0.84 ALDH1A1 (0.48) ALDH1A1POLBCCR3KMT2ANPC1
SCHEMBL459775 0.84 SRD5A2 (0.44) HPGDSALDH1A1POLBUSP2TSHR

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 HPGDS 5/4885ALDH1A1 157/4885POLB 574/4885

“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.