SCHEMBL630660

SCHEMBL630660

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

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
POLB P06746 4/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
RECQL P46063 1/20 0.49
RCE1 Q9Y256 1/20 0.46
EZH2 Q15910 3/20 0.44
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 1/20 0.42
ACACB O00763 2/20 0.41

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
SCHEMBL8268040 0.89 TSHR (0.59) TSHRPOLBKMT2AMEN1MAPT
SCHEMBL6166782 0.83 POLB (0.62) TSHRPOLBKMT2AEZH2PKM
SCHEMBL631684 0.83 POLB (0.51) TSHRPOLBKMT2AMEN1MAPT
SCHEMBL25060205 0.82 POLB (0.57) TSHRPOLBKMT2AMEN1MAPT
SCHEMBL17800950 0.82 POLB (0.57) TSHRPOLBKMT2AMEN1MAPT
SCHEMBL5170764 0.80 TSHR (0.59) TSHRPOLBKMT2AMEN1MAPT
SCHEMBL631342 0.80 SMN1; SMN2 (0.46) POLBKMT2AMEN1SMN1; SMN2ACACB
SCHEMBL8738291 0.77 EZH2 (0.69) TSHRPOLBKMT2AMEN1EZH2
SCHEMBL25060405 0.77 POLB (0.46) TSHRPOLBKMT2AMEN1MAPT
SCHEMBL13497843 0.76 TSHR (0.45) TSHRPOLBKMT2AMEN1MAPT

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 4105/4885KMT2A 4807/4885

“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.