SCHEMBL1643307

SCHEMBL1643307

CCC1(CC)C(=O)NC(C)C1=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
TSHR P16473 2/20 0.34
ALDH1A1 P00352 2/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP3A4 P08684 1/20 0.31
GABRB3 P28472 1/20 0.31
OPRD1 P41143 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
Methyprylon SCHEMBL614 0.68 LMNA (0.40) LMNATSHRALDH1A1NPSR1
Methyprylon SCHEMBL155839 0.68 LMNA (0.40) LMNATSHRALDH1A1NPSR1
Methyprylon SCHEMBL155838 0.68 LMNA (0.40) LMNATSHRALDH1A1NPSR1
SCHEMBL31509083 0.66 LMNA (0.78) LMNATSHRALDH1A1KDM4ECYP3A4
SCHEMBL28588519 0.64 LMNA (0.65) LMNATSHRALDH1A1KDM4ECYP3A4
SCHEMBL14788875 0.64 LMNA (0.64) LMNATSHRALDH1A1KDM4ENPSR1
Barbital SCHEMBL3859278 0.62 LMNA (1.00) LMNATSHRALDH1A1KDM4ECYP3A4
Barbital SCHEMBL43818 0.62 LMNA (1.00) LMNATSHRALDH1A1KDM4ECYP3A4
SCHEMBL13881643 0.62 LMNA (0.37) LMNATSHRALDH1A1HTTKDM4E
Barbital SCHEMBL236590 0.60 LMNA (0.94) LMNATSHRALDH1A1KDM4ECYP3A4

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420694-B2 Pyrrolidin-2-one derivatives as androgen receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-16 US disclosed
US-8420694-B2 Pyrrolidin-2-one derivatives as androgen receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-16 US disclosed
US-8420694-B2 Pyrrolidin-2-one derivatives as androgen receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-16 US disclosed
EP-2176220-B1 Pyrrolidin-2-one derivatives as androgen receptor modulators TAKEDA PHARMACEUTICAL (JP) 2013-03-27 EP disclosed
EP-2176220-B1 Pyrrolidin-2-one derivatives as androgen receptor modulators TAKEDA PHARMACEUTICAL (JP) 2013-03-27 EP disclosed
US-20110098336-A1 PYRROLIDIN-2-ONE DERIVATIVES AS ANDROGEN RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-28 US disclosed
US-20110098336-A1 PYRROLIDIN-2-ONE DERIVATIVES AS ANDROGEN RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-28 US disclosed
US-20110098336-A1 PYRROLIDIN-2-ONE DERIVATIVES AS ANDROGEN RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-28 US disclosed
US-7834051-B2 Cyclic amine compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-16 US disclosed
US-7834051-B2 Cyclic amine compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-16 US disclosed
US-7834051-B2 Cyclic amine compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-16 US disclosed
EP-2176220-A2 PYRROLIDIN-2-ONE DERIVATIVES AS ANDROGEN RECEPTOR MODULATOR Takeda Pharmaceutical Company Limited (JP) 2010-04-21 EP disclosed
WO-2009020234-A2 PYRROLIDIN-2 -ONE DERIVATIVES AS ANDROGEN RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-12 WO disclosed
WO-2009020234-A2 PYRROLIDIN-2 -ONE DERIVATIVES AS ANDROGEN RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-12 WO disclosed
US-20090042967-A1 Cyclic amine compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-12 US disclosed
US-20090042967-A1 Cyclic amine compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-12 US disclosed
US-20090042967-A1 Cyclic amine compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-12 US 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 (2 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-20110098336-A1 PYRROLIDIN-2-ONE DERIVATIVES AS ANDROGEN RECEPTOR MODULATOR AR, NR5A1, SHBG LMNA 4654/4885TSHR 437/4885ALDH1A1 788/4885
US-20090042967-A1 Cyclic amine compounds SHBG, FSHR, ACP3 LMNA 1213/4885TSHR 1132/4885ALDH1A1 1734/4885

“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.