SCHEMBL4422022

SCHEMBL4422022

COc1ccc(C(=O)N2CCN(c3ccncc3)CC2)cc1C#Cc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
GAA P10253 1/20 0.52
KDM4E B2RXH2 1/20 0.51
F10 P00742 1/20 0.51

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
SCHEMBL4317237 0.87 F10 (0.51) ALDH1A1GAAF10
SCHEMBL4419677 0.87 ALDH1A1 (0.57) ALDH1A1KDM4E
SCHEMBL4324152 0.86 ALDH1A1 (0.56) ALDH1A1KDM4E
SCHEMBL4426557 0.85 ALDH1A1 (0.62) ALDH1A1
SCHEMBL4426358 0.85 ALDH1A1 (0.64) ALDH1A1
SCHEMBL4419055 0.85 SLC6A7 (0.58)
SCHEMBL4419169 0.84 TSHR (0.63) ALDH1A1KDM4E
SCHEMBL4324254 0.83 ALOX15 (0.54) ALDH1A1KDM4E
SCHEMBL4428078 0.83 GBA1 (0.51)
SCHEMBL4321321 0.83 RBP4 (0.54)

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 ALDH1A1 3104/4885GAA 4319/4885KDM4E 1411/4885

“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.