SCHEMBL459775

SCHEMBL459775

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.44
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.39
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
CCR3 P51677 4/20 0.37
HPGDS O60760 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
SCHEMBL458159 0.91 EPHX2 (0.46) SRD5A2KMT2AALDH1A1POLBUSP2
SCHEMBL458225 0.88 ACKR3 (0.48) SRD5A2CCR3
SCHEMBL459347 0.87 ALDH1A1 (0.45) SRD5A2KMT2AALDH1A1POLBUSP2
SCHEMBL460136 0.85 ALDH1A1 (0.48) SRD5A2KMT2AALDH1A1POLBNPC1
SCHEMBL458157 0.85 EPHX2 (0.43) SRD5A2KMT2AALDH1A1POLBUSP2
SCHEMBL457742 0.85 ALDH1A1 (0.46) SRD5A2KMT2AALDH1A1POLBUSP2
SCHEMBL459660 0.85 ALDH1A1 (0.46) SRD5A2KMT2AALDH1A1POLBTSHR
SCHEMBL458154 0.84 CCR3 (0.41) SRD5A2KMT2AALDH1A1POLBUSP2
SCHEMBL458438 0.84 ALDH1A1 (0.50) SRD5A2KMT2AALDH1A1POLBCNR1
SCHEMBL460097 0.84 DRD2 (0.42) SRD5A2KMT2AALDH1A1POLBUSP2

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 SRD5A2 814/4885KMT2A 3659/4885ALDH1A1 157/4885

“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.