SCHEMBL630944

SCHEMBL630944

NC(=O)OCCCOc1ccc(C[CH]C(=O)NC2CCOCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
LTA4H P09960 2/20 0.38
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HRH3 Q9Y5N1 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
ADRA2C P18825 1/20 0.35
CHRM3 P20309 1/20 0.35
DRD4 P21917 1/20 0.35
SLC6A2 P23975 1/20 0.35
HRH2 P25021 1/20 0.35
SLC6A4 P31645 1/20 0.35
HRH1 P35367 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
BMPR1B O00238 1/20 0.35
BMPR1A P36894 1/20 0.35

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
SCHEMBL631367 0.84 EPHX2 (0.34) EPHX2LTA4HMEN1KMT2AKDM4E
SCHEMBL631341 0.77 SMN1; SMN2 (0.39) EPHX2L3MBTL1
SCHEMBL631025 0.72 ACACB (0.43)
SCHEMBL630133 0.72 MEN1 (0.51) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL631182 0.72 MAPT (0.45) EPHX2MEN1KMT2AMAPTLMNA
SCHEMBL630170 0.70 MEN1 (0.35) MEN1KMT2ALMNAALDH1A1
SCHEMBL630945 0.68 ACACB (0.47) EPHX2MAPTHRH2HRH1BMPR1B
SCHEMBL5172331 0.67 ACACB (0.41) EPHX2MEN1KMT2AHRH3MAPT
SCHEMBL630927 0.66 ACACB (0.44) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL5173472 0.66 LTA4H (0.38) LTA4HHRH3ALDH1A1

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
EP-1778637-B1 FKBP-binding composition and pharmaceutical use thereof AVENTIS PHARMA INC (US) 2012-02-22 EP claimed
US-7777042-B2 N-sulfonylpipecolic acid derivative FKBP binding composition and pharmaceutical use thereof AVENTIS PHARMACEUTICALS INC. (US) 2010-08-17 US claimed
US-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2008-06-12 US claimed
EP-1778637-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF Aventis Pharmaceuticals, Inc. (US) 2007-05-02 EP claimed
WO-2006012256-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2006-02-02 WO claimed
US-7777042-B2 N-sulfonylpipecolic acid derivative FKBP binding composition and pharmaceutical use thereof AVENTIS PHARMACEUTICALS INC. (US) 2010-08-17 US disclosed
US-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2008-06-12 US disclosed
EP-1778637-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF Aventis Pharmaceuticals, Inc. (US) 2007-05-02 EP disclosed
WO-2006012256-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2006-02-02 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-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF FKBP1A, FKBP1B, FKBP3 EPHX2 4482/4885LTA4H 3642/4885MEN1 4809/4885

“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.