SCHEMBL4428576

SCHEMBL4428576

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

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.71
ALDH1A1 P00352 2/20 0.71
MAPT P10636 2/20 0.63
TSHR P16473 2/20 0.63
MAPK1 P28482 2/20 0.63
USP2 O75604 1/20 0.63
HTT P42858 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.57
PARP14 Q460N5 1/20 0.55
PARP10 Q53GL7 1/20 0.55
AKR1C3 P42330 1/20 0.55
KDM4E B2RXH2 1/20 0.55
HSP90AA1 P07900 1/20 0.54

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
SCHEMBL4429432 0.91 LMNA (0.60) LMNAALDH1A1MAPTTSHRMAPK1
SCHEMBL4417079 0.91 TSHR (0.76) LMNAALDH1A1MAPTTSHRMAPK1
SCHEMBL4423687 0.90 SMN1; SMN2 (0.66) LMNAALDH1A1MAPTTSHRMAPK1
SCHEMBL4425115 0.89 LMNA (0.64) LMNAALDH1A1MAPTTSHRMAPK1
SCHEMBL4416942 0.88 MAPK1 (0.74) LMNAMAPTTSHRMAPK1USP2
SCHEMBL4422757 0.88 LMNA (0.63) LMNAALDH1A1MAPTTSHRMAPK1
SCHEMBL16720328 0.86 TSHR (0.72) LMNAALDH1A1MAPTTSHRMAPK1
SCHEMBL4419169 0.85 TSHR (0.63) LMNAALDH1A1MAPTTSHRMAPK1
SCHEMBL4418537 0.85 DRD2 (0.62) LMNAALDH1A1MAPTTSHRMAPK1
SCHEMBL4417416 0.85 LMNA (0.59) LMNAALDH1A1MAPTTSHRMAPK1

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 4354/4885ALDH1A1 3104/4885MAPT 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.