SCHEMBL3531902

SCHEMBL3531902

CC(C)CC(O)C(=O)N1CCN(c2cncc(-c3ccccc3F)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 5/20 0.39
PIM1 P11309 5/20 0.39
PIM3 Q86V86 3/20 0.39
RET P07949 2/20 0.39
CHRNA7 P36544 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
FAAH O00519 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
DPP4 P27487 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
GBA1 P04062 1/20 0.36

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
SCHEMBL12991467 1.00 PIM2 (0.39) PIM2PIM1PIM3RETCHRNA7
SCHEMBL12991345 0.90 TSHR (0.40) PIM2PIM1RETKDM4EALDH1A1
SCHEMBL3527295 0.90 TSHR (0.40) PIM2PIM1RETKDM4EALDH1A1
SCHEMBL3532230 0.88 DPP4 (0.38) PIM2RETKDM4EALDH1A1HSD17B10
SCHEMBL12991499 0.88 DPP4 (0.38) PIM2RETKDM4EALDH1A1HSD17B10
SCHEMBL12991226 0.82 FAAH (0.47) RETFAAHDPP4
SCHEMBL12991231 0.82 ALDH1A1 (0.41) RETCHRNA7KDM4EALDH1A1HSD17B10
SCHEMBL3535125 0.82 FAAH (0.47) RETFAAHDPP4
SCHEMBL3528677 0.81 PIM1 (0.42) PIM2PIM1PIM3KDM4EALDH1A1
SCHEMBL12991336 0.80 FAAH (0.47) RETKDM4EALDH1A1HSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858786-B2 Pyrimidines and pyrazines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCOROPATED (US) 2010-12-28 US disclosed
US-20070093454-A1 Pyrimidines and pyrazines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-04-26 US 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-20070093454-A1 Pyrimidines and pyrazines useful as modulators of ion channels KCNJ1, KCNJ2, KCNJ11 PIM2 3403/4885PIM1 3802/4885PIM3 3557/4885

“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.