SCHEMBL457742

SCHEMBL457742

O=C(NC1CCN(C(=O)C2CCC2)CC1)N1CCC(=Cc2cc(F)ccc2F)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
EPHX2 P34913 6/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
SRD5A2 P31213 2/20 0.40
KMT2A Q03164 1/20 0.39
CCR3 P51677 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
HPGDS O60760 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL460136 0.98 ALDH1A1 (0.48) ALDH1A1POLBEPHX2SRD5A2KMT2A
SCHEMBL458438 0.97 ALDH1A1 (0.50) ALDH1A1POLBEPHX2SRD5A2KMT2A
SCHEMBL459347 0.96 ALDH1A1 (0.45) ALDH1A1POLBEPHX2SRD5A2KMT2A
SCHEMBL459660 0.88 ALDH1A1 (0.46) ALDH1A1POLBL3MBTL1SRD5A2KMT2A
SCHEMBL458157 0.85 EPHX2 (0.43) ALDH1A1POLBEPHX2SRD5A2KMT2A
SCHEMBL459775 0.85 SRD5A2 (0.44) ALDH1A1POLBSRD5A2KMT2ACCR3
SCHEMBL458154 0.84 CCR3 (0.41) ALDH1A1POLBSRD5A2KMT2ACCR3
SCHEMBL458159 0.84 EPHX2 (0.46) ALDH1A1POLBEPHX2SRD5A2KMT2A
SCHEMBL460097 0.84 DRD2 (0.42) ALDH1A1POLBSRD5A2KMT2ACCR3
SCHEMBL458768 0.84 HPGDS (0.41) ALDH1A1POLBEPHX2SRD5A2KMT2A

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 ALDH1A1 157/4885POLB 574/4885EPHX2 255/4885

“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.