SCHEMBL4415946

SCHEMBL4415946

COc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1C#Cc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
ALDH1A1 P00352 2/20 0.61
HTT P42858 2/20 0.61
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
TLR9 Q9NR96 1/20 0.54
TLR8 Q9NR97 1/20 0.54
TLR7 Q9NYK1 1/20 0.54
KDM4E B2RXH2 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL4317024 0.89 LMNA (0.58) LMNAMEN1KMT2AALDH1A1HTT
SCHEMBL4321348 0.86 LMNA (0.55) LMNAMEN1KMT2AALDH1A1HTT
SCHEMBL4424697 0.86 LMNA (0.68) LMNAMEN1KMT2AALDH1A1HTT
SCHEMBL4429472 0.86 FASN (0.49)
SCHEMBL4421894 0.85 ALDH1A1 (0.56) ALDH1A1KDM4E
SCHEMBL4426358 0.85 ALDH1A1 (0.64) ALDH1A1
SCHEMBL4420161 0.84 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2
SCHEMBL4422358 0.83
SCHEMBL4418456 0.82 NAMPT (0.49) TLR8TLR7
SCHEMBL4419055 0.82 SLC6A7 (0.58)

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 LMNA 4354/4885MEN1 4398/4885KMT2A 887/4885

“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.