SCHEMBL630659

SCHEMBL630659

CC(C)Oc1ccc(C[CH]C(=O)NC2CC(C)(C)N[C@](C)(C(N)=O)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
POLB P06746 4/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
EZH2 Q15910 4/20 0.38
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
RCE1 Q9Y256 1/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 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
SCHEMBL5170755 0.85 TSHR (0.54) TSHRPOLBMEN1MAPTRECQL
SCHEMBL6166781 0.84 GAA (0.48) TSHRPOLBMEN1MAPTRECQL
SCHEMBL631683 0.84 MEN1 (0.45) TSHRPOLBMEN1MAPTRECQL
SCHEMBL630660 0.73 TSHR (0.57) TSHRPOLBMEN1MAPTRECQL
SCHEMBL8268040 0.73 TSHR (0.59) TSHRPOLBMEN1MAPTRECQL
SCHEMBL630790 0.72 GLA (0.53) POLBMAPTKMT2ACYP1A2GAA
SCHEMBL5170764 0.70 TSHR (0.59) TSHRPOLBMEN1MAPTRECQL
SCHEMBL8738291 0.70 EZH2 (0.69) TSHRPOLBMEN1KMT2AEZH2
SCHEMBL631341 0.68 SMN1; SMN2 (0.39) SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL13497843 0.66 TSHR (0.45) TSHRPOLBMEN1MAPTRECQL

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 TSHR 3361/4885POLB 4105/4885MEN1 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.