SCHEMBL3531390

SCHEMBL3531390

CC(C)COC(=O)N1CCN(c2ccnc(Cl)n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.53
KIT P10721 1/20 0.45
IDE P14735 1/20 0.43
HRH1 P35367 1/20 0.43
SLC6A15 Q9H2J7 1/20 0.43
OGA O60502 1/20 0.43
SORD Q00796 1/20 0.43
SMO Q99835 1/20 0.42

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
SCHEMBL31635767 0.82 TRPV1 (0.51) TRPV1IDEHRH1SMO
SCHEMBL3530584 0.81 PANK3 (0.59) KITIDEHRH1SLC6A15SMO
SCHEMBL30796957 0.80 TRPV1 (0.53) TRPV1
SCHEMBL12991337 0.79 ALDH1A1 (0.45) TRPV1HRH1SLC6A15SORDSMO
SCHEMBL1320120 0.79 GPR119 (0.56) TRPV1
SCHEMBL3558471 0.79 MAPT (0.51) KITIDEHRH1SLC6A15SMO
SCHEMBL13037430 0.79 CYP1A2 (0.44) TRPV1HRH1SLC6A15SMO
SCHEMBL12991440 0.79 ALDH1A1 (0.47) TRPV1HRH1
SCHEMBL1877788 0.78 PANK3 (0.58) TRPV1KIT
SCHEMBL21193615 0.78 TRPV1 (0.62) TRPV1SORDSMO

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-7858786-B2 Pyrimidines and pyrazines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCOROPATED (US) 2010-12-28 US disclosed
US-7858786-B2 Pyrimidines and pyrazines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCOROPATED (US) 2010-12-28 US disclosed
US-7858786-B2 Pyrimidines and pyrazines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCOROPATED (US) 2010-12-28 US disclosed
EP-1877385-A1 PYRIMIDINES AND PYRAZINES USEFUL AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2008-01-16 EP disclosed
US-20070093454-A1 Pyrimidines and pyrazines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-04-26 US disclosed
US-20070093454-A1 Pyrimidines and pyrazines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-04-26 US disclosed
US-20070093454-A1 Pyrimidines and pyrazines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-04-26 US disclosed
WO-2006119451-A1 PYRIMIDINES AND PYRAZINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-11-09 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-20070093454-A1 Pyrimidines and pyrazines useful as modulators of ion channels KCNJ1, KCNJ2, KCNJ11 TRPV1 7/4885KIT 3315/4885IDE 4763/4885

“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.