SCHEMBL4552600

SCHEMBL4552600

C#CN1CCNCC1C(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.43
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CHRNB2 P17787 2/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNA7 P36544 2/20 0.37
CHRNA4 P43681 2/20 0.37
HTR2C P28335 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HTR2A P28223 1/20 0.36
CPB1 P15086 1/20 0.36
KMT2A Q03164 3/20 0.35
MGLL Q99685 1/20 0.35
HSD11B1 P28845 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL3451086 0.87 SIGMAR1 (0.44) SIGMAR1ALDH1A1USP2TSHRHSD17B10
SCHEMBL4563423 0.82 SIGMAR1 (0.40) SIGMAR1ALDH1A1USP2TSHRHSD17B10
SCHEMBL3801432 0.78 SIGMAR1 (0.46) SIGMAR1ALDH1A1USP2TSHRHSD17B10
SCHEMBL22467693 0.78 SIGMAR1 (0.46) SIGMAR1ALDH1A1USP2TSHRHSD17B10
SCHEMBL11590269 0.77 SIGMAR1 (0.53) SIGMAR1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL8595770 0.77 SLC6A2 (0.49) SIGMAR1ALDH1A1USP2TSHRHSD17B10
SCHEMBL4563352 0.76 GRM5 (0.36) SIGMAR1ALDH1A1USP2TSHRHSD17B10
SCHEMBL28290160 0.75 SIGMAR1 (0.44) SIGMAR1ALDH1A1USP2TSHRHSD17B10
SCHEMBL8498078 0.75 SIGMAR1 (0.44) SIGMAR1ALDH1A1USP2TSHRHSD17B10
SCHEMBL15603465 0.73 CHRNB2 (0.32) CHRNB2CHRNA3CHRNA4

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 413/4885ALDH1A1 3104/4885USP2 2570/4885

“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.