SCHEMBL2476141

SCHEMBL2476141

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
MAPT P10636 6/20 0.51
HTT P42858 4/20 0.51
LMNA P02545 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAPK1 P28482 2/20 0.51
ALOX15 P16050 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KMT2A Q03164 1/20 0.44
GAA P10253 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GPR119 Q8TDV5 3/20 0.40
AKR1C3 P42330 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CASP6 P55212 1/20 0.39
GFER P55789 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 0.84 MAPK1 (0.46) ALDH1A1MAPTHTTLMNAL3MBTL1
SCHEMBL188776 0.83 FASN (0.46) ALDH1A1MAPTHTTLMNAL3MBTL1
SCHEMBL3826006 0.79 MAPT (0.64) ALDH1A1MAPTHTTLMNANPSR1
SCHEMBL188211 0.76 GFER (0.64) ALDH1A1MAPTHTTLMNAL3MBTL1
SCHEMBL1814504 0.75 MAPT (0.63) ALDH1A1MAPTHTTL3MBTL1MAPK1
SCHEMBL15475168 0.74 MAPT (0.59) ALDH1A1MAPTHTTLMNANPSR1
SCHEMBL7678698 0.74 ALDH1A1 (0.49) ALDH1A1MAPTLMNAL3MBTL1MAPK1
SCHEMBL6160902 0.74 MAPT (0.72) ALDH1A1MAPTHTTLMNAL3MBTL1
SCHEMBL188783 0.72 NAMPT (0.51) ALDH1A1MAPTLMNAL3MBTL1MAPK1
SCHEMBL27676396 0.72 MAPT (0.53) ALDH1A1MAPTLMNAMAPK1NPSR1

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 4 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
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-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 (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-20110245229-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE2, WEE1, CDKL1 ALDH1A1 871/4885MAPT 4346/4885HTT 3361/4885

“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.