SCHEMBL3108316

SCHEMBL3108316

Cc1ncc(-c2ccc(C(F)(F)F)cc2)c(NC2C3CC4CC(C3)CC2C4)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GABBR2 O75899 14/20 1.00
▸ GABBR1 Q9UBS5 14/20 1.00
▸ PDE10A Q9Y233 2/20 0.43
▸ HSD11B1 P28845 1/20 0.35
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34

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
SCHEMBL3123805 0.83 GABBR2 (1.00) GABBR2GABBR1
SCHEMBL3119366 0.83 GABBR2 (1.00) GABBR2GABBR1
SCHEMBL3119363 0.83 GABBR2 (1.00) GABBR2GABBR1
SCHEMBL3123795 0.83 GABBR2 (1.00) GABBR2GABBR1
SCHEMBL3119355 0.83 GABBR2 (1.00) GABBR2GABBR1
SCHEMBL3121907 0.80 GABBR2 (1.00) GABBR2GABBR1PDE10A
SCHEMBL3111419 0.79 GABBR2 (1.00) GABBR2GABBR1PDE10A
SCHEMBL3118358 0.79 GABBR2 (1.00) GABBR2GABBR1PDE10A
SCHEMBL13268129 0.76 GABBR2 (0.79) GABBR2GABBR1PDE10A
SCHEMBL26257034 0.75 GABBR2 (0.63) GABBR2GABBR1PDE10ACYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179127-A1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2010-07-15 — — US disclosed
US-20100179127-A1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2010-07-15 — — US disclosed
US-20100179127-A1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2010-07-15 — — US disclosed
EP-1896428-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OP GABA B MEDIATED NERVOUS SYSTEM DISORDERS Novartis AG (CH) 2008-03-12 — — EP disclosed
WO-2006136442-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OP GABA B MEDIATED NERVOUS SYSTEM DISORDERS NOVARTIS AG (CH) 2006-12-28 — — 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-20100179127-A1 PYRIMIDINE DERIVATIVES DPYD, NUDT1, HPRT1 GABBR2 1611/4885GABBR1 1499/4885PDE10A 1353/4885

“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.

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