SCHEMBL1643418

SCHEMBL1643418

N#Cc1ccc(C[C@H](Nc2ccc(C#N)c(Cl)c2)C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 3/20 0.46
ITGA4 P13612 3/20 0.46
FPR2 P25090 5/20 0.44
FPR1 P21462 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MCL1 Q07820 1/20 0.42
ACACB O00763 1/20 0.42
S1PR3 Q99500 1/20 0.41
PPARG P37231 2/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 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
IDO1 P14902 1/20 0.40
AR P10275 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
SCHEMBL1643416 1.00 ITGB1 (0.46) ITGB1ITGA4FPR2FPR1MEN1
SCHEMBL1644363 0.90 FPR2 (0.54) ITGB1ITGA4FPR2MEN1KMT2A
SCHEMBL1644362 0.90 FPR2 (0.54) ITGB1ITGA4FPR2MEN1KMT2A
SCHEMBL1642708 0.89 FPR2 (0.43) ITGB1ITGA4FPR2FPR1S1PR3
SCHEMBL1642709 0.89 FPR2 (0.43) ITGB1ITGA4FPR2FPR1S1PR3
SCHEMBL1291536 0.82 S1PR3 (0.46) S1PR3KDM4EGAAMAPTMAPK1
SCHEMBL1291457 0.82 S1PR3 (0.46) S1PR3KDM4EGAAMAPTMAPK1
SCHEMBL21428954 0.79 PPARG (0.52) ITGB1ITGA4FPR2FPR1PPARG
SCHEMBL28809944 0.79 PPARG (0.52) ITGB1ITGA4FPR2FPR1PPARG
SCHEMBL1643455 0.79 GAA (0.44) FPR2S1PR3KDM4EGAAMAPT

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 7 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
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-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
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 ITGB1 3031/4885ITGA4 4198/4885FPR2 1687/4885
US-20090042967-A1 Cyclic amine compounds SHBG, FSHR, ACP3 ITGB1 2232/4885ITGA4 3022/4885FPR2 731/4885

“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.