SCHEMBL6312239

SCHEMBL6312239

CC(C)(C)OC(=O)N1CCN(c2cc[c]cc2OC(F)F)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
PDE4D Q08499 2/20 0.43
GPR119 Q8TDV5 6/20 0.42
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RET P07949 1/20 0.41
ALK Q9UM73 2/20 0.41
SMARCA2 P51531 1/20 0.40
SMARCA4 P51532 1/20 0.40
PBRM1 Q86U86 1/20 0.40
TP53 P04637 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
MEN1 O00255 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
SCHEMBL29707350 0.80 BACE1 (0.50) ALDH1A1MAPTLMNAPDE4DNPC1
SCHEMBL19212185 0.80 BACE1 (0.50) ALDH1A1MAPTLMNAPDE4DNPC1
SCHEMBL2479658 0.80 GPR119 (0.49) ALDH1A1MAPTLMNAGPR119SMARCA2
SCHEMBL28694479 0.80 MEN1 (0.50) ALDH1A1MAPTLMNAGPR119NPC1
SCHEMBL27742803 0.79 MAPT (0.48) ALDH1A1MAPTLMNAGPR119SMARCA2
SCHEMBL28688759 0.76 PDE4D (0.44) ALDH1A1MAPTLMNAPDE4DGPR119
SCHEMBL5686248 0.75 MAPT (0.53) ALDH1A1MAPTLMNAPDE4DGPR119
SCHEMBL7078017 0.75 MAPT (0.60) ALDH1A1MAPTLMNAGPR119HTT
SCHEMBL19459053 0.74 ALK (0.51) ALDH1A1MAPTLMNAPDE4DGPR119
SCHEMBL31342653 0.74 ALK (0.51) ALDH1A1MAPTLMNAPDE4DGPR119

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-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US claimed
EP-1427421-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS Amgen Inc. (US) 2004-06-16 EP claimed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 US claimed
WO-2003018021-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS AMGEN INC. (US) 2003-03-06 WO claimed
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US disclosed
EP-1427421-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS Amgen Inc. (US) 2004-06-16 EP disclosed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 US disclosed
WO-2003018021-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS AMGEN INC. (US) 2003-03-06 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-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use DPYD, TYMP, TPMT ALDH1A1 433/4885MAPT 4491/4885LMNA 2198/4885

“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.