SCHEMBL4422857

SCHEMBL4422857

O=C(c1cccc(C#Cc2ccccc2)c1)N1CCNCC1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.67
GRM5 P41594 4/20 0.52
MKNK2 Q9HBH9 1/20 0.51
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
CCNC P24863 1/20 0.50
CDK8 P49336 1/20 0.50

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
SCHEMBL28238050 0.87 SIGMAR1 (0.56) SIGMAR1MKNK2CCNCCDK8
SCHEMBL3640363 0.87 SIGMAR1 (0.73) SIGMAR1GRM5MKNK2LMNAMAPK1
SCHEMBL2740504 0.85 SIGMAR1 (0.61) SIGMAR1GRM5
SCHEMBL4426054 0.85 TACR2 (0.57) SIGMAR1GRM5MKNK2
Hydrochloric Acid SCHEMBL223669 0.84 SIGMAR1 (0.59) SIGMAR1GRM5
SCHEMBL4417204 0.84 SIGMAR1 (0.56) SIGMAR1GRM5MKNK2CCNCCDK8
SCHEMBL8358286 0.83 SIGMAR1 (0.76) SIGMAR1LMNAMAPK1CCNCCDK8
SCHEMBL4413971 0.83 GRM5 (0.76) GRM5LMNAMAPK1RAB9A
SCHEMBL4422998 0.83 SIGMAR1 (0.55) SIGMAR1GRM5CCNCCDK8
SCHEMBL4417079 0.82 TSHR (0.76) LMNAMAPK1

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 SIGMAR1 413/4885GRM5 1/4885MKNK2 1214/4885

“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.