SCHEMBL4417070

SCHEMBL4417070

Cc1cccc(C#Cc2cc(C(=O)N3CCN(c4ccccn4)CC3)ccc2C)c1

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.69
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58

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
SCHEMBL4423124 0.92 ALDH1A1 (0.62) HPGDKDM4EALDH1A1LMNA
SCHEMBL4428341 0.91 HPGD (0.59) HPGDKDM4EALDH1A1LMNA
SCHEMBL4429444 0.91 KDM4E (0.69) HPGDKDM4EALDH1A1LMNA
SCHEMBL4425289 0.91 HPGD (0.58) HPGDKDM4EALDH1A1LMNA
SCHEMBL4419054 0.91 HPGD (0.58) HPGDKDM4EALDH1A1LMNA
SCHEMBL4424685 0.91 ALDH1A1 (0.66) HPGDKDM4EALDH1A1LMNA
SCHEMBL4413960 0.90 HPGD (0.65) HPGDALDH1A1
SCHEMBL4413953 0.89
SCHEMBL4422706 0.89 HPGD (0.53) HPGD
SCHEMBL4419702 0.88 ALDH1A1 (0.60) HPGDKDM4EALDH1A1LMNA

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 HPGD 2657/4885KDM4E 1411/4885ALDH1A1 3104/4885

“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.