SCHEMBL1642844

SCHEMBL1642844

C[C@@H](CO)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SLC6A2 P23975 2/20 0.39
CHRNA1 P02708 1/20 0.39
CHRNG P07510 1/20 0.39
ITGA5 P08648 1/20 0.39
CHRNB1 P11230 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
SLC6A4 P31645 1/20 0.39
CHRNA3 P32297 1/20 0.39
CYP2C19 P33261 1/20 0.39
HRH1 P35367 1/20 0.39
CHRNA7 P36544 1/20 0.39
OPRK1 P41145 1/20 0.39
CHRNA4 P43681 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
SCHEMBL2171679 0.85 AAK1 (0.38) SMN1; SMN2
SCHEMBL3288030 0.84 SMN1; SMN2 (0.43) ALDH1A1CHRNB2CHRNB4CHRNA3CYP2C19
SCHEMBL1134230 0.84 SMN1; SMN2 (0.43) ALDH1A1CHRNB2CHRNB4CHRNA3CYP2C19
SCHEMBL1643846 0.82 SLC6A2 (0.39) CYP2B6ALDH1A1MAPTNPC1GAA
SCHEMBL14796731 0.81 CYP2B6 (0.41) CYP2B6ALDH1A1MAPTNPC1GAA
SCHEMBL3401819 0.80 FSCN1 (0.41) CYP2B6ALDH1A1MAPTNPC1GAA
SCHEMBL3401822 0.80 FSCN1 (0.41) CYP2B6ALDH1A1MAPTNPC1GAA
SCHEMBL6832915 0.80 SMN1; SMN2 (0.40) ALDH1A1GAASMN1; SMN2
SCHEMBL29004748 0.76 HTR3E (0.51) ALDH1A1MAPTNPC1GAANPSR1
SCHEMBL30455057 0.76 HTR3E (0.51) ALDH1A1MAPTNPC1GAANPSR1

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 11 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-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
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 CYP2B6 1363/4885ALDH1A1 788/4885MAPT 3834/4885
US-20090042967-A1 Cyclic amine compounds SHBG, FSHR, ACP3 CYP2B6 2073/4885ALDH1A1 1734/4885MAPT 3817/4885

“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.