SCHEMBL188776

SCHEMBL188776

CC(C)(O)C(=O)N1CCN(c2cc[c]cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.46
MAPK1 P28482 3/20 0.45
MAPT P10636 5/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CASP6 P55212 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
GPR119 Q8TDV5 2/20 0.40
MEN1 O00255 2/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
AKR1C3 P42330 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
SCHEMBL188410 0.89 MAPK1 (0.46) MAPK1MAPTALDH1A1LMNAL3MBTL1
SCHEMBL2476141 0.83 ALDH1A1 (0.51) MAPK1MAPTALDH1A1LMNAL3MBTL1
SCHEMBL23544885 0.82 AKR1C3 (0.58) FASNMAPK1MAPTALDH1A1LMNA
SCHEMBL8510262 0.81 GFER (0.66) FASNMAPK1MAPTALDH1A1LMNA
SCHEMBL188211 0.80 GFER (0.64) MAPK1MAPTALDH1A1LMNAL3MBTL1
SCHEMBL25839423 0.79 PANK3 (0.54) FASNMAPK1MAPTALDH1A1LMNA
SCHEMBL3826006 0.79 MAPT (0.64) MAPTALDH1A1LMNAHTTNPSR1
SCHEMBL188783 0.79 NAMPT (0.51) MAPK1MAPTALDH1A1LMNAL3MBTL1
SCHEMBL7678698 0.78 ALDH1A1 (0.49) MAPK1MAPTALDH1A1LMNAL3MBTL1
SCHEMBL2481511 0.75 MAPK1 (0.51) MAPK1MAPTALDH1A1LMNAL3MBTL1

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-8575179-B2 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2013-11-05 US disclosed
US-8288396-B2 Pyrimidopyrimidoindazole derivative MSDKK (JP) 2012-10-16 US disclosed
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-05-31 US disclosed
EP-2401281-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-01-04 EP disclosed
EP-2376494-A1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVES MSD K.K. (JP) 2011-10-19 EP disclosed
US-20110245229-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES MSD K.K. (JP) 2011-10-06 US disclosed
WO-2010098367-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-02 WO disclosed
WO-2010067888-A1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVES BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-06-17 WO 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-20110245229-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE2, WEE1, CDKL1 FASN 2951/4885MAPK1 131/4885MAPT 4346/4885
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE WEE1, WEE2, DCK FASN 1616/4885MAPK1 163/4885MAPT 4723/4885

“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.