SCHEMBL1644455

SCHEMBL1644455

N#Cc1ccc(NC(CC2CC2)C(=O)O)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRN P28799 2/20 0.44
SORT1 Q99523 2/20 0.44
RORC P51449 3/20 0.43
F11 P03951 2/20 0.42
KLKB1 P03952 1/20 0.42
S1PR3 Q99500 1/20 0.42
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
GAA P10253 2/20 0.40
IDO1 P14902 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CNR2 P34972 1/20 0.40
AR P10275 2/20 0.39
GCK P35557 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL1644456 1.00 GRN (0.44) GRNSORT1RORCF11KLKB1
SCHEMBL1291536 0.83 S1PR3 (0.46) RORCS1PR3GAAIDO1KDM4E
SCHEMBL1291457 0.83 S1PR3 (0.46) RORCS1PR3GAAIDO1KDM4E
SCHEMBL1643453 0.80 GAA (0.44) RORCS1PR3GAAIDO1KDM4E
SCHEMBL1643455 0.80 GAA (0.44) RORCS1PR3GAAIDO1KDM4E
SCHEMBL1644362 0.79 FPR2 (0.54) S1PR3GAAKDM4EMAPTMAPK1
SCHEMBL1644363 0.79 FPR2 (0.54) S1PR3GAAKDM4EMAPTMAPK1
SCHEMBL1643418 0.77 ITGB1 (0.46) S1PR3GAAIDO1KDM4EMAPT
SCHEMBL1643416 0.77 ITGB1 (0.46) S1PR3GAAIDO1KDM4EMAPT
SCHEMBL1642709 0.76 FPR2 (0.43) S1PR3ARALDH1A1

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 19 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
CN-101821235-B Pyrrolidin-2 -one derivatives as androgen receptor modulator TAKEDA PHARMACEUTICAL 2012-11-14 CN 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
CN-101821235-A Pyrrolidin-2 -one derivatives as androgen receptor modulator TAKEDA PHARMACEUTICAL 2010-09-01 CN 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 GRN 3529/4885SORT1 2581/4885RORC 148/4885
US-20090042967-A1 Cyclic amine compounds SHBG, FSHR, ACP3 GRN 160/4885SORT1 3899/4885RORC 4497/4885

“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.