SCHEMBL4419677

SCHEMBL4419677

COc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1C#Cc1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.57
KDM4E B2RXH2 2/20 0.55
SLC6A7 Q99884 1/20 0.54

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
SCHEMBL4324152 0.93 ALDH1A1 (0.56) ALDH1A1HPGDKDM4ESLC6A7
SCHEMBL4326163 0.91 L3MBTL1 (0.60) ALDH1A1HPGDKDM4ESLC6A7
SCHEMBL4324188 0.91 SLC6A7 (0.57) ALDH1A1HPGDKDM4ESLC6A7
SCHEMBL4319866 0.90 SLC6A7 (0.62) ALDH1A1HPGDKDM4ESLC6A7
SCHEMBL4326152 0.90 ALDH1A1 (0.53) ALDH1A1HPGDKDM4ESLC6A7
SCHEMBL4318094 0.90 SLC6A7 (0.68) ALDH1A1HPGDKDM4ESLC6A7
SCHEMBL4426358 0.90 ALDH1A1 (0.64) ALDH1A1
SCHEMBL4324183 0.89 ALDH1A1 (0.56) ALDH1A1HPGDKDM4ESLC6A7
SCHEMBL4428078 0.88 GBA1 (0.51)
SCHEMBL4318575 0.88 ALDH1A1 (0.55) ALDH1A1HPGDKDM4ESLC6A7

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 3104/4885HPGD 2657/4885KDM4E 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.