SCHEMBL4319285

SCHEMBL4319285

N#Cc1ccc(N2CCN(C(=O)c3cncc(C#Cc4ccccc4)c3)CC2)nc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PARP1 P09874 1/20 0.47
TNK1 Q13470 1/20 0.47
PANK3 Q9H999 1/20 0.47

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
SCHEMBL4413754 0.90 MEN1 (0.52) PARP1TNK1
SCHEMBL4312385 0.85 MAPK1 (0.62) TP53MAPTTSHRMAPK1NPSR1
SCHEMBL4318538 0.85 PARP1 (0.51) TP53MAPTTSHRMAPK1NPSR1
SCHEMBL26297113 0.85 SLC6A7 (0.56) MAPK1PARP1TNK1PANK3
SCHEMBL4311974 0.84 LMNA (0.63) MAPTTSHRMAPK1
SCHEMBL4415437 0.82 SLC6A7 (0.64) TP53MAPTTSHRMAPK1NPSR1
SCHEMBL26295533 0.81 PANK3 (0.54) TIPARPPARP1TNK1PANK3
SCHEMBL4318289 0.81 KDM4E (0.57) TSHR
SCHEMBL4422052 0.81 MEN1 (0.52)
SCHEMBL4429472 0.80 FASN (0.49)

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 TIPARP 4628/4885TP53 4834/4885MAPT 2108/4885

“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.