SCHEMBL631341

SCHEMBL631341

C[C@H](Oc1ccc(C[CH]C(=O)NC2CCOCC2)cc1)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CTSD P07339 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HPGD P15428 1/20 0.36
ACACB O00763 2/20 0.35
EPHX2 P34913 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HPGDS O60760 1/20 0.34

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 0.83 EPHX2 (0.34) SMN1; SMN2CTSDNPC1RAB9AEPHX2
SCHEMBL5170755 0.81 TSHR (0.54) L3MBTL1
SCHEMBL5173124 0.79 ALDH1A1 (0.38) EPHX2
SCHEMBL630944 0.77 EPHX2 (0.38) EPHX2L3MBTL1
SCHEMBL630133 0.72 MEN1 (0.51) CTSDNPC1RAB9AL3MBTL1
SCHEMBL630170 0.71 MEN1 (0.35) SMN1; SMN2NPC1RAB9AHPGDHPGDS
SCHEMBL17152289 0.71 OPRK1 (0.34) SMN1; SMN2CTSDNPC1RAB9A
SCHEMBL631342 0.70 SMN1; SMN2 (0.46) SMN1; SMN2CTSDNPC1RAB9AHPGD
SCHEMBL5173273 0.69 SMN1; SMN2 (0.47) SMN1; SMN2CTSDNPC1RAB9AHPGD
SCHEMBL630790 0.68 GLA (0.53) NPC1RAB9AACACB

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 SMN1; SMN2 498/4885NPSR1 649/4885CTSD 3699/4885

“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.