SCHEMBL4552602

SCHEMBL4552602

C#CC1CNCCN1C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.50
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA4 P22748 4/20 0.46
CA9 Q16790 4/20 0.46
CHRNB2 P17787 2/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
CHRNA7 P36544 2/20 0.43
CHRNA4 P43681 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL4563424 0.82 SIGMAR1 (0.47) SIGMAR1CA1CA2CA4CA9
SCHEMBL960119 0.78 SLC6A1 (0.33) CHRNB2CHRNA3CHRNA4TSHR
SCHEMBL27564326 0.78 SIGMAR1 (0.54) SIGMAR1CA1CA2CA4CA9
SCHEMBL6673838 0.78 SIGMAR1 (0.54) SIGMAR1CA1CA2CA4CA9
SCHEMBL27428109 0.78 SIGMAR1 (0.54) SIGMAR1CA1CA2CA4CA9
SCHEMBL1763575 0.78 SIGMAR1 (0.54) SIGMAR1CA1CA2CA4CA9
SCHEMBL1090149 0.78 SIGMAR1 (0.54) SIGMAR1CA1CA2CA4CA9
SCHEMBL1090152 0.78 SIGMAR1 (0.54) SIGMAR1CA1CA2CA4CA9
SCHEMBL7064784 0.78 SIGMAR1 (0.54) SIGMAR1CA1CA2CA4CA9
Hydrochloric Acid SCHEMBL3710664 0.77 SIGMAR1 (0.53) SIGMAR1CA1CA2CA4CA9

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 413/4885CA1 3481/4885CA2 3427/4885

“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.