SCHEMBL4422249

SCHEMBL4422249

Cc1cccc(N2CCN(C(=O)c3ccc(C(F)(F)F)c(C#Cc4ccccn4)c3)CC2)n1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.47

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
SCHEMBL4318039 0.91 MEN1 (0.56) HPGDHSP90AA1HSP90AB1MEN1POLB
SCHEMBL4324199 0.88 KDM4E (0.53) HPGDHSP90AA1HSP90AB1MEN1POLB
SCHEMBL4326498 0.87 MEN1 (0.52) HPGDHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL4326377 0.86 SLC6A7 (0.58) KDM4EALDH1A1
SCHEMBL4312340 0.86 ALDH1A1 (0.54) HPGDKDM4EALDH1A1
SCHEMBL4324274 0.85 SLC6A7 (0.53) HSP90AA1HSP90AB1MEN1POLBKMT2A
SCHEMBL4321925 0.84 LMNA (0.62) MEN1KMT2AKDM4EALDH1A1
SCHEMBL4422024 0.83 HPGD (0.58) HPGDMEN1POLBKMT2AKDM4E
SCHEMBL4329954 0.83 ALDH1A1 (0.51) HPGDALDH1A1
SCHEMBL4312351 0.81 SCD (0.59) HSP90AA1HSP90AB1MEN1POLBKMT2A

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 claimed

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 2657/4885HSP90AA1 3672/4885HSP90AB1 3834/4885

“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.