Sugi Predict

Sugi Predict / Compounds / SCHEMBL3533715

SCHEMBL3533715

SCHEMBL3533715

COCCOC(=O)NC1CCN(c2cncc(-c3ccccc3C(F)F)n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.44
▸ CKS1B P61024 6/20 0.40
▸ SKP1 P63208 6/20 0.40
▸ SKP2 Q13309 6/20 0.40
▸ CHRM4 P08173 2/20 0.38
▸ SMO Q99835 2/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ HTR4 Q13639 2/20 0.36
▸ RAF1 P04049 1/20 0.36
▸ BRAF P15056 1/20 0.36
▸ HTR1A P08908 2/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ UGT8 Q16880 1/20 0.35
▸ HTR7 P34969 2/20 0.35
▸ SSTR4 P31391 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
SCHEMBL12990788 0.95 CNR1 (0.42) CNR1CKS1BSKP1SKP2CHRM4
SCHEMBL3537918 0.89 DRD2 (0.41) CNR1CKS1BSKP1SKP2CHRM4
SCHEMBL12991530 0.89 CNR1 (0.46) CNR1CKS1BSKP1SKP2CHRM4
SCHEMBL3533398 0.88 CNR1 (0.47) CNR1CKS1BSKP1SKP2CHRM4
SCHEMBL13037431 0.87 CNR1 (0.46) CNR1CKS1BSKP1SKP2CHRM4
SCHEMBL3534646 0.85 CKS1B (0.56) CNR1CKS1BSKP1SKP2CNR2
SCHEMBL3527603 0.84 CNR1 (0.48) CNR1CHRM4SMOCNR2HTR1A
SCHEMBL12991472 0.84 PDE10A (0.39) CNR1CKS1BSKP1SKP2CNR2
SCHEMBL12991309 0.83 CNR1 (0.43) CNR1
SCHEMBL12990787 0.83 CNR1 (0.44) CNR1CKS1BSKP1SKP2CNR2

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 CNR1 573/4885CKS1B 2173/4885SKP1 1399/4885

“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.