SCHEMBL4425115

SCHEMBL4425115

O=C(c1cccc(C#Cc2ccccc2)c1)N1CCN(c2ccc(O)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.64
MAPK1 P28482 3/20 0.64
MAPT P10636 3/20 0.64
TSHR P16473 3/20 0.64
USP2 O75604 2/20 0.64
ALDH1A1 P00352 3/20 0.62
HTT P42858 2/20 0.62
GAA P10253 2/20 0.62
ALOX15 P16050 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
HSD17B10 Q99714 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 1/20 0.56
NAMPT P43490 1/20 0.53
POLB P06746 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
SCHEMBL4417079 0.92 TSHR (0.76) LMNAMAPK1MAPTTSHRUSP2
SCHEMBL4422757 0.89 LMNA (0.63) LMNAMAPK1MAPTTSHRUSP2
SCHEMBL4428576 0.89 LMNA (0.71) LMNAMAPK1MAPTTSHRUSP2
SCHEMBL4416942 0.89 MAPK1 (0.74) LMNAMAPK1MAPTTSHRUSP2
SCHEMBL16720328 0.87 TSHR (0.72) LMNAMAPK1MAPTTSHRUSP2
SCHEMBL4419169 0.86 TSHR (0.63) LMNAMAPK1MAPTTSHRUSP2
SCHEMBL4417416 0.86 LMNA (0.59) LMNAMAPK1MAPTTSHRUSP2
SCHEMBL4418537 0.86 DRD2 (0.62) LMNAMAPK1MAPTTSHRUSP2
SCHEMBL4429432 0.85 LMNA (0.60) LMNAMAPK1MAPTTSHRUSP2
SCHEMBL4419041 0.85 ALDH1A1 (0.62) LMNAMAPK1MAPTTSHRUSP2

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 LMNA 4354/4885MAPK1 1370/4885MAPT 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.