SCHEMBL6311181

SCHEMBL6311181

COc1c[c]ccc1OCCC1CCN(C)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
EGFR P00533 2/20 0.41
FGFR1 P11362 2/20 0.41
FLT1 P17948 2/20 0.41
FLT4 P35916 2/20 0.41
KDR P35968 2/20 0.41
QPCT Q16769 4/20 0.40
ABL1 P00519 2/20 0.39
SRC P12931 2/20 0.39
ABL2 P42684 2/20 0.39
KCNH2 Q12809 1/20 0.38
HTR4 Q13639 1/20 0.37
CTSS P25774 1/20 0.37
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
ACHE P22303 1/20 0.35
NPY1R P25929 1/20 0.35
QDPR P09417 1/20 0.35

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
SCHEMBL5884723 0.88 CHRNB4 (0.42) EGFRFGFR1FLT1FLT4KDR
SCHEMBL12993148 0.82 DRD2 (0.53) DRD2DRD4KCNH2CHRNB4CHRNA3
SCHEMBL6620154 0.82 DRD2 (0.44) DRD2DRD4EGFRFGFR1FLT1
SCHEMBL21462366 0.81 KDM4E (0.42) DRD2DRD4ACHE
SCHEMBL3514397 0.80 POLB (0.44) DRD2
SCHEMBL3514854 0.78 ABCB1 (0.45) DRD2
SCHEMBL6318991 0.76 KDM4E (0.49) DRD2DRD4EGFRFGFR1FLT1
SCHEMBL6641951 0.76 HRH3 (0.40) ABL1SRCABL2
SCHEMBL2884989 0.75 PDE4B (0.41) CHRNB4CHRNA3
SCHEMBL2976035 0.75 POLB (0.56)

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 DRD2 2120/4885DRD4 1349/4885EGFR 1302/4885

“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.