SCHEMBL4333489

SCHEMBL4333489

O=C(c1cncc(C#Cc2ccccc2)c1)N1CCN(c2ncccc2C(F)(F)F)CC1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.69
RBP4 P02753 1/20 0.52
GAA P10253 1/20 0.51
TRPA1 O75762 2/20 0.51
POLB P06746 1/20 0.51
NPSR1 Q6W5P4 2/20 0.50
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 1/20 0.48
TRPV1 Q8NER1 4/20 0.48

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
SCHEMBL4417052 0.89 HSD11B1 (0.76) HSD11B1RBP4GAATRPA1POLB
SCHEMBL4319210 0.83 KDM4E (0.54) ALDH1A1
SCHEMBL4318289 0.82 KDM4E (0.57) ALDH1A1
SCHEMBL4552360 0.82 HSD11B1 (0.67) HSD11B1RBP4GAATRPA1NPSR1
SCHEMBL4312385 0.81 MAPK1 (0.62) POLBNPSR1ALDH1A1
SCHEMBL4311974 0.80 LMNA (0.63) ALDH1A1
SCHEMBL4326371 0.78 SMN1; SMN2 (0.50) GAAALDH1A1
SCHEMBL4415437 0.78 SLC6A7 (0.64) NPSR1
SCHEMBL4314125 0.75 KDM4E (0.52)
SCHEMBL3095680 0.75 HSD11B1 (0.76) HSD11B1RBP4GAATRPA1TRPV1

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 3 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
WO-2009143404-A1 PIPERAZINE METABOTROPIC GLUTAMATE RECEPTOR 5 (MGLUR5) NEGATIVE ALLOSTERIC MODULATORS FOR ANXIETY/DEPRESSION WYETH (US) 2009-11-26 WO 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 3183/4885RBP4 1749/4885GAA 4319/4885

“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.