SCHEMBL5375015

SCHEMBL5375015

CC1(C)C2CC1C(=O)C(C(=O)Nc1ccc(F)c(C(F)(F)F)c1)C2=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.46
▸ CXCR3 P49682 1/20 0.46
▸ GRM4 Q14833 1/20 0.43
▸ KDR P35968 9/20 0.40
▸ BRAF P15056 4/20 0.40
▸ THRB P10828 1/20 0.39
▸ NPY5R Q15761 1/20 0.39
▸ UBE2M P61081 1/20 0.39
▸ DCUN1D1 Q96GG9 1/20 0.39
▸ KCNQ3 O43525 1/20 0.38
▸ KCNQ2 O43526 1/20 0.38
▸ KCNE1 P15382 1/20 0.38
▸ KCNQ1 P51787 1/20 0.38

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
SCHEMBL5380160 0.83 HTT (0.49) THRB
SCHEMBL5383096 0.82 AR (0.46) ARGRM4KDRBRAFNPY5R
SCHEMBL5370304 0.82 EPHX2 (0.46) THRB
SCHEMBL5374672 0.81 AR (0.42) ARCXCR3GRM4KDRBRAF
SCHEMBL5380110 0.81 AR (0.42) ARCXCR3GRM4KDRBRAF
SCHEMBL5371543 0.81 AR (0.42) ARCXCR3GRM4KDRBRAF
SCHEMBL5378499 0.81 KMT2A (0.45) —
SCHEMBL5379010 0.80 LMNA (0.53) UBE2MDCUN1D1
SCHEMBL5371602 0.77 RAB9A (0.46) —
SCHEMBL5374201 0.77 EPHX2 (0.46) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7179943-B2 Bicyclic derivatives that modulate voltage-gated potassium channels and methods of use thereof WYETH (US) 2007-02-20 — — US claimed
US-20060004108-A1 Bicyclic derivatives that modulate voltage-gated potassium channels and methods of use thereof WYETH (US) 2006-01-05 — — US claimed
US-7179943-B2 Bicyclic derivatives that modulate voltage-gated potassium channels and methods of use thereof WYETH (US) 2007-02-20 — — US disclosed
US-20060004108-A1 Bicyclic derivatives that modulate voltage-gated potassium channels and methods of use thereof WYETH (US) 2006-01-05 — — 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-20060004108-A1 Bicyclic derivatives that modulate voltage-gated potassium channels and methods of use thereof KCNAB1, KCNA1, KCNN1 AR 3664/4885CXCR3 3470/4885GRM4 296/4885

“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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