SCHEMBL2533905

SCHEMBL2533905

COc1cc(Cl)nc2ccc(Cl)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.51
MAT2A P31153 1/20 0.49
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
HSD17B10 Q99714 1/20 0.46
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
GAK O14976 1/20 0.43
RIPK2 O43353 1/20 0.43
COQ8A Q8NI60 1/20 0.43

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
SCHEMBL2534913 0.84 LMNA (0.50) IGF1RALDH1A1MAPTPOLBKDM4E
SCHEMBL2539829 0.84 KDM4E (0.60) HSD17B10ALDH1A1MAPTPOLBKDM4E
SCHEMBL7697819 0.84 KDM4E (0.51) IGF1RMAT2ATSHRMAPK1CASP1
SCHEMBL11039427 0.84 CRHR1 (0.52) IGF1RMAT2ATSHRMAPK1CASP1
SCHEMBL2534870 0.83 ALDH1A1 (0.45) IGF1RALDH1A1MAPTPOLBKDM4E
SCHEMBL2539705 0.80 HPGD (0.62) IGF1RALDH1A1MAPTPOLBKDM4E
SCHEMBL9724194 0.79 KDM4E (0.49) IGF1RALDH1A1MAPTPOLBKDM4E
SCHEMBL28598438 0.79 HPGD (0.60) IGF1RALDH1A1MAPTPOLBKDM4E
SCHEMBL30894816 0.77 ALDH1A1 (0.67) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL16621012 0.77 KDM4E (0.52) IGF1RMAPK1ALDH1A1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044068-B2 Aminopyrrolidine compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-10-25 US disclosed
US-8044068-B2 Aminopyrrolidine compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-10-25 US disclosed
US-8044068-B2 Aminopyrrolidine compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-10-25 US disclosed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
EP-2003131-A1 AMINOPYRROLIDINE COMPOUND Taisho Pharmaceutical Co. Ltd. (JP) 2008-12-17 EP disclosed
EP-2003131-A1 AMINOPYRROLIDINE COMPOUND Taisho Pharmaceutical Co. Ltd. (JP) 2008-12-17 EP 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-20090291940-A1 AMINOPYRROLIDINE COMPOUND MC4R, MC5R, MC2R IGF1R 1821/4885MAT2A 3517/4885TSHR 964/4885

“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.