SCHEMBL631683

SCHEMBL631683

CC1(C)CC(NC(=O)[CH]Cc2ccc(OCCCF)cc2)C[C@@](C)(C(N)=O)N1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
RECQL P46063 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
EZH2 Q15910 4/20 0.41
PKM P14618 1/20 0.39
CYP3A4 P08684 1/20 0.37
SLC2A1 P11166 1/20 0.36
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL630659 0.84 TSHR (0.43) MEN1RECQLKMT2APOLBMAPT
SCHEMBL6166781 0.82 GAA (0.48) MEN1RECQLKMT2APOLBMAPT
SCHEMBL5170755 0.75 TSHR (0.54) MEN1RECQLKMT2APOLBMAPT
SCHEMBL631684 0.74 POLB (0.51) MEN1RECQLKMT2APOLBMAPT
SCHEMBL5169287 0.73 POLB (0.47) MEN1RECQLKMT2APOLBMAPT
SCHEMBL630381 0.67 CYP3A4 (0.44) MEN1RECQLKMT2ACYP3A4LMNA
SCHEMBL630944 0.66 EPHX2 (0.38) MEN1KMT2AMAPTTSHRLMNA
SCHEMBL631182 0.65 MAPT (0.45) MEN1KMT2APOLBMAPTCYP3A4
SCHEMBL630927 0.62 ACACB (0.44) MEN1KMT2AMAPTLMNA
SCHEMBL8738614 0.61 EZH2 (0.72) MEN1RECQLKMT2APOLBMAPT

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 MEN1 4809/4885RECQL 2140/4885KMT2A 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.