SCHEMBL4417063

SCHEMBL4417063

O=C(c1ccc(C(F)(F)F)c(C#Cc2ccccn2)c1)N1CCN(c2ncccc2Cl)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.53
TRPA1 O75762 3/20 0.47
TRPV1 Q8NER1 2/20 0.47
SLC6A7 Q99884 1/20 0.43
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
RBP4 P02753 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
SCHEMBL4325183 0.91 HSD11B1 (0.46) HSD11B1SLC6A7PDK1PDK2PDK3
SCHEMBL4419799 0.89 ALDH1A1 (0.48) TRPA1
SCHEMBL4333478 0.88 ALDH1A1 (0.46) HSD11B1TRPA1
SCHEMBL4326369 0.87 MALT1 (0.48) HSD11B1TRPA1TRPV1RBP4
SCHEMBL4326377 0.87 SLC6A7 (0.58) HSD11B1SLC6A7
SCHEMBL4324240 0.86 KIT (0.49)
SCHEMBL4318039 0.86 MEN1 (0.56) SLC6A7
SCHEMBL4321993 0.86 HSD11B1 (0.49) HSD11B1SLC6A7RBP4
SCHEMBL4321006 0.84 RBP4 (0.52) RBP4
SCHEMBL4312067 0.83 HSD11B1 (0.46) HSD11B1SLC6A7RBP4

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-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression WYETH (US) 2009-12-31 US claimed
US-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression WYETH (US) 2009-12-31 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-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression GRM5, GRIK5, GRM1 HSD11B1 3183/4885TRPA1 1855/4885TRPV1 634/4885

“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.