SCHEMBL4417052

SCHEMBL4417052

O=C(c1cccc(C#Cc2ccccc2)c1)N1CCN(c2ncccc2C(F)(F)F)CC1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.76
TRPA1 O75762 2/20 0.56
RBP4 P02753 1/20 0.54
GAA P10253 1/20 0.53
POLB P06746 1/20 0.53
NPSR1 Q6W5P4 2/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL4552360 0.92 HSD11B1 (0.67) HSD11B1TRPA1RBP4GAANPSR1
SCHEMBL4333489 0.89 HSD11B1 (0.69) HSD11B1TRPA1RBP4GAAPOLB
SCHEMBL4421904 0.82 PARP1 (0.59)
SCHEMBL4325013 0.81 ALDH1A1 (0.57) POLB
SCHEMBL4321986 0.79 MEN1 (0.69) POLBNPSR1
SCHEMBL4424697 0.78 LMNA (0.68)
SCHEMBL4417416 0.78 LMNA (0.59) POLB
SCHEMBL3095680 0.77 HSD11B1 (0.76) HSD11B1TRPA1RBP4GAA
SCHEMBL4423684 0.77 KMT2A (0.70) GAAPOLBNPSR1
SCHEMBL4328352 0.76 HSD11B1 (0.58) HSD11B1TRPA1RBP4GAAPOLB

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 1 patent. 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 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 1855/4885RBP4 1749/4885

“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.