SCHEMBL4418537

SCHEMBL4418537

COc1ccc(N2CCN(C(=O)c3cccc(C#Cc4ccccc4)c3)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.62
HTR2A P28223 1/20 0.62
PARP14 Q460N5 1/20 0.61
PARP10 Q53GL7 1/20 0.61
MAPT P10636 4/20 0.59
MAPK1 P28482 3/20 0.59
LMNA P02545 2/20 0.59
USP2 O75604 1/20 0.59
TSHR P16473 1/20 0.59
ALDH1A1 P00352 4/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
GAA P10253 2/20 0.58
HTT P42858 3/20 0.56
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
POLB P06746 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MCL1 Q07820 1/20 0.55
KDM4E B2RXH2 1/20 0.55

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
SCHEMBL4420309 0.91 ALDH1A1 (0.62) DRD2MAPTMAPK1LMNAUSP2
SCHEMBL4417079 0.88 TSHR (0.76) MAPTMAPK1LMNAUSP2TSHR
SCHEMBL4422757 0.87 LMNA (0.63) MAPTMAPK1LMNAUSP2TSHR
SCHEMBL4425115 0.86 LMNA (0.64) MAPTMAPK1LMNAUSP2TSHR
SCHEMBL2767534 0.85 DRD2 (0.81) DRD2HTR2AMAPTMAPK1LMNA
SCHEMBL4416942 0.85 MAPK1 (0.74) PARP14PARP10MAPTMAPK1LMNA
SCHEMBL4428576 0.85 LMNA (0.71) PARP14PARP10MAPTMAPK1LMNA
SCHEMBL10144128 0.84 PARP14 (0.77) DRD2HTR2APARP14PARP10MAPT
SCHEMBL16720328 0.83 TSHR (0.72) MAPTMAPK1LMNAUSP2TSHR
SCHEMBL4415299 0.83 MEN1 (0.62) MAPK1ALDH1A1MEN1KMT2A

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 DRD2 285/4885HTR2A 102/4885PARP14 4595/4885

“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.